2004-2005 - icmab-csic

Transcripción

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INSTITUT DE CIÈNCIA DE
MATERIALS DE BARCELONA
BIENNIAL REPORT 2004-2005
Consejo Superior de Investigaciones Científicas
02-Portadilla:INST.CIEN.MATERIAL Portada Int.
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Institut de Ciència
de Materials
de Barcelona
Biennial Report
2004-2005
CSIC
Consejo Superior
de Investigaciones
Científicas
01-Credits:INT. PORTADA
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Consejo Superior de Investigaciones Científicas
Institut de Ciència de Materials de Barcelona
Campus de la Universitat Autònoma de Barcelona
08193 Bellaterra (Barcelona) SPAIN
Phone:
+34 935 801 853
Fax:
+34 935 805 729
e-mail:
[email protected]
Editors:
Nº of copies:
Legal deposit:
Nora Ventosa, Mariona Vázquez and Silvia Jurado
800 isues
B-53982-2007
Cover: Scanning Electron Microscopy picture showing a thin film of superconducting
YBa2Cu3O7-6 obtained by chemical solution deposition. Epitaxial growth conditions
have been perturbed by random nucleation of spherical inhomogeneities of
50 m on diameter.
Author: Ana Esther Carrillo Fernández. FOTCIENCIA04
Back cover: Optical microphotograph of the remained material after a reaction
of silica sands at 1200ºC for SiC whiskers preparation.
Author: Susana Garelik Rojsen. FOTCIENCIA04
Printed in Catalunya, GRAFISMAR, S.A., Barcelona
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Table of contents
I.
Presentation
Most important activities
Strategic Plan
Official Opening of MATGAS
Publications
Patents
Personnel
Budgets
Presentación
Presentació
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9
14
17
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22
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II.
Highlights
Scientific highlights
Technologic highlights
Reviews
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67
73
III.
Description of the ICMAB
Foundation board
Organization chart of the ICMAB
The ICMAB team
Scientific staff
Management, Administration, General Services and others
Scientific-Technical Services
Scientific Departments and Groups
Molecular and Supramolecular Materials Department
Crystallography and Solid State Chemistry Department
Molecular Nanoscience and Organic Materials Department
Electronic Materials and Crystal Growth Department
Magnetic and Superconducting Materials Department
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81
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IV.
Publications
Articles in journals
Books, chapters of books and proceedings
Popular press articles
Patents
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180
187
189
V.
Research activities
Scientific projects and contracts
Meetings and conferences contributions
Conferences organized by the ICMAB-CSIC
Ph.D. Thesis
Invited talks
Awards and other merits
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202
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237
244
Libro CSIC-B1:10. BANDWIDTH CONTROL
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I
Presentation
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I. PRESENTATION
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PRESENTATION
This biennial report is the ninth we have done since the Institut de Ciència de Materials de Barcelona
was founded in 1987. The report describes the most important activities carried out in 2004 and
2005.
It is different from the two previous editions as we have changed it to a biannual format. In the
previous report, we justified the fact of changing to a three-year format by the systematic and
generalized use of the Institute website (www.icmab.es) as a more accessible, dynamic way of
informing. However, we have believed it opportune to return to the biannual format. We have
therefore made an important effort to make things specific go. So, this report is shorter than the
two previous editions.
This chapter includes a presentation. The second chapter shows a selection of the most representative
highlights and the scientific, technological and dissemination activities of our researches.
The third chapter comprises a description of the Institute, its organisational structure, its staff,
etc. The chapter describes the departments and the research groups. From each department
and/or each research group there is a summary of research progress made during the last two
years.
The fourth chapter comprises scientific articles published in journals, books and proceedings, and
are classified by years and subjects. The classification has been carried out by distributing articles
by subjects, which is how the first reports were published. This has been done in order to facilitate
comparison. The classification is the following:
A.– Theoretical Chemistry and Physics; Modelling and Simulation of Materials.
B.– Magnetic Materials.
C.– Superconducting Materials.
D.– Inorganic, Organometallic and Coordination Compounds.
E.– Organic Materials.
F.– Methodology, Characterisation, Optical Properties and Crystal Growth.
Furthermore, the articles have been classified following the impact factor of the journals in which
they have been published.
In the fifth chapter there is a list of the projects that have been financed, research contracts,
contributions to congresses and conferences, doctoral theses that have been read and, finally,
awards and other noteworthy merits achieved by Institute researchers. A list of the conferences
given by external guests to the Institute is also including in this chapter.
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A. MOST IMPORTANT ACTIVITIES
Table I provides the most important milestones of the evolution of the Institute, since it was founded
in 1987, from the administrative point of view.
Table I. Main administrative milestones of the ICMAB.
Firstly, we can see in table I that the first milestone in 2004 was the restructuring of the Institute
with setting up a new department called the Department of Molecular Nanoscience and Organic
Materials which is run by the research group directed by Prof. Jaume Veciana.
A new Scientific-Technical Services Unit was set up, which consists of the research equipment that
is used by the Institute groups and external groups. This Unit is directed by one of the two ViceDirectors, Prof. Xavier Obradors and it is coordinated by Dr. Xavier Granados, TSE. The third chapter
provides a brief description of the equipment that is available, its staff and organisation.
Another milestone that we believe will be of great importance for the future of the Institute has
been the participation of various research groups in setting up networks of excellence (NoE)
financed by the VI Framework Programme of the EC. These networks consist of the most important
groups of excellence on the subject in Europe. These NoEs should become, after four years of
activity, Virtual European Institutes of Excellence.
A research group therefore takes part in the network ALISTORE (Advanced Lithium Batteries, Energy
Storage System based on the use of Nanopowders and Nanocomposites Electrodes), another
group in the network MAGMANet (Molecular approach to Nanomagnets and Multifunctional Materials)
and finally, various Institute groups take part in the network FAME (Functionalised Advanced Materials
Engineering of Hybrids and Ceramics). All of these networks are aimed at grouping and generating
a critical mass of researchers and technicians of excellence within Europe which will subsequently
become a virtual research institute.
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Figure I. Collage that represents the ICMAB, original painting of Vives-Fierro (photograph made by Prof. E. Molins).
B. STRATEGIC PLAN
We should call the years 2004-2005 the years of the Strategic Plan.
Following CSIC directives, the 2006-2009 Strategic Plan was carefully drawn up with collaboration
from the entire Institute. The plan can be found on the ICMAB website (www.icmab.es), both in
English and Spanish. It is a very detailed plan of 315 pages that also contains a summary of the
entire forecast activities as well as detailed planning of scientific objectives that are foreseen to
be reached by 2009.
The Plan starts off with a chapter of general information which describes the situation, the
organization, the general infrastructure, human resources, the description of departments, research
lines, services and external relationships, agreements etc., in January 2005. The second chapter
includes this data in more detail using a format that has been pre-designed by the CSIC, the staff,
the equipment and budgets. The third chapter describes the four dimensions that configure the
Institute:
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Dimension 1: Obtaining competitive funding.
Dimension 2: Scientific and technical production.
Dimension 3: Interaction with the productive and social environment. Internationalisation.
Dimension 4: Training of researchers and postdoctoral activities.
Dimension 5: Promotion of scientific culture and scientific dissemination.
The fourth chapter is really the basis of the plan as it describes the strengths, weaknesses,
opportunities, threats and a complete analysis of the whole plan with its mission and vision together
with research objectives and, finally, evaluation criteria are included. The last chapter gives the
necessary actions to reach forecast objectives.
Finally, there is an executive summary of the Strategic Plan where the ten research lines are
highlighted and external opportunities are identified which condition them. These are the following:
A.– Setting up a cluster or nanotechnology platform within the UAB sphere.
B.– Building and setting up the ALBA synchrotron in 2009 also at the UAB sphere.
C.– The opening of the MATGAS 2000 AIE laboratories, which are physically connected to the
ICMAB-CSIC. MATGAS is an economic interest association administered by the ICMAB-CSIC
(22 %), the UAB (12 %) and the Carburos Metálicos SA Company (66 %), whose aim is to carry
out research into the area of materials and gases.
D.– Setting up a Reference Centre dependent on the Generalitat de Catalunya for the study of
advanced materials for energy applications (CeRMAE), which is a virtual centre financed by
the Generalitat de Catalunya, in which two ICMAB research groups will take part.
E.– Approval of three networks of excellence financed by the VI Framework Programme, whose aim
is to set up virtual institutes of excellence at a european level.
F.– Setting up the Mare Nostrum, which is the fourth most powerful computer in the world and
which has just been officially opened at the Supercomputing Centre in Catalonia, located at
the UPC (Technical University of Catalonia) and which is linked to the scientific network of
catalan universities, so the ICMAB can access to it through the UAB.
These six external opportunities are the basis of the Strategic Plan and modulate the research
lines. These are the following:
Line 1.– Functional molecular and supramolecular materials. Molecular electronics. Molecular
magnetism.
Line 2.– Processing, growth and characterisation of thin films and multilayers and oxides
nanostructures with functional properties (ionic, magnetic, superconducting, etc).
Line 3.– Materials processing. Electrochemistry applied to synthesis. Processing with compressed
fluids.
Line 4.– Design, synthesis, characterisation and application of homogenous catalysts.
Line 5.– Materials derived from transition metal chemistry and the principle groups.
Line 6.– Preparation through solution chemistry and characterisation of nanostructured epitaxial
superconducting tapes and hybrid materials.
Line 7.– Preparation and study of the optical properties of semiconductor heterostructures.
Line 8.– Electronic structure and simulation of materials and processes.
Line 9.– New methods of structure determination by X-ray diffraction with conventional or synchrotron
sources, diffraction of neutrons and surface crystallography.
Line 10.– Materials integration into power superconducting systems and magneto electronic devices.
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Table II. Evaluation of the research lines according to the Strategic Plan.
Table II. has been taken from the Strategic Plan and it contains the self evaluation of the research
lines, as well as their relevance.
Furthermore, the last chapter of the Strategic Plan gives the actions that are necessary to reach
proposed objectives. These actions are grouped into seven sections.
The first section refers to the organisational modifications that were necessary to be established
and are summarized in figure II, where the set-up of a new Project Management Unit can be seen.
Figure II. Organisational scheme of the ICMAB as foreseen in the Strategic Plan.
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In addition, it is decided on a decentralised management system within the Institute, which has
led to an Administrative Coordination Secretariat to be set up for each of the existing departments.
The second section refers to the space that is needed to develop the proposals of the Strategic
Plan. The Plan proposes the building of a photovoltaic roof (figure III), which will allow the useful
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surface area of the ICMAB to be enlarged by approximately 400 m for laboratories and offices.
Figure III. Project for the photovoltaic roof.
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The third section analyses the necessary scientific infrastructure and considers renewal of equipment,
funding required for acquiring new equipment for the laboratories for preparation through solution
chemistry of nanostructured materials (NANOQUIM), for a laboratory of manipulation and analysis
of surfaces, for the acquisition of complementary equipment. All of which involves a budget of
approximately 5 million euros to be invested in 5 years.
The fourth section envisages the creation of new tenured scientist positions and estimates that
three of these posts will be created annually. Furthermore, there is an emphasis on the need for
technical staff, who will be assigned to general services, scientific-technical services and the
departments and it is considered necessary to take on a total of 20 technicians at different levels
during the term of the Strategic Plan.
The fifth section deals with economic resources, the sixth is concerned with scientific-technological
resources, where the need to set up new departments is described (8 at the end of the process)
and the need to include NANOQUIM as a general scientific-technical service at the Institute, etc.
Finally, the last section about activities that promote scientific culture and scientific dissemination,
proposes the launch of a periodic Newsletter on the activities of the Institute and on the most
important topics in the world of new materials.
Once this Strategic Plan was presented to the CSIC, it was evaluated by a committee proposed by
the ESF (European Science Foundation) (Review Panel 14. Materials Science) presided by Prof.
Herbert Gleiter and composed of Prof. Orlando Auciello, Prof. Gisela Schütz, Prof. Georges Boulon,
Prof. Erio Tossatti, Prof. Stuart Hampshire and Prof. Hans Eckhardt Hoenig.
The Strategic Plan was orally presented to the committee by Prof. Carlos Miravitlles, director of
st
the Institute, on 21 September 2005. The Plan was also supported and answers to specific
questions were given and discussed by the Director himself together with Prof. Xavier Obradors
(Vice-director), Prof. Enric Canadell and Prof. Concepció Rovira.
Finally, the committee presented its final report to the CSIC Presidency. The report considered the
Strategic Plan presented by the ICMAB as being highly positive. We therefore believe that it is fair
to include at least one paragraph of the report, which both praises and considers that the strategy
followed by the ICMAB is the right one.
“The Panel was led to conclude that two kinds of research strategies exist presently in the CSIC
Institutes. The ICMAB focuses on relatively few lines of research that appear to be the most
promising ones. The decisions about these research lines are made by the director of the ICMAB,
after consulting with the scientists involved. In the ICMAB, the director is appointed by a foundation.
The second kind of research strategy seems to be realized in the ICMA, ICMM, ICMS and UFM.
These four Institutes work on a variety of research projects. The choice of these projects depends
to a large extent on the funding situation:
Projects that are approved for funding go ahead. The directors of the four CSIC Institutes are
elected by the Institutes´ scientists. In these Institutes, the directors have little influence on the
Institutes´ research portfolios.
The Peer Review Panel supports the approach taken by the ICMAB. In that sense, it has worked
out a list of recommendations concerning the future research strategy of the CSIC Institutes. This
list is structured in the following three organizational levels”.
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The Scientific Committee has defined five parameters in order to evaluate activities at the different
Institutes. The first was the budget obtained per researcher and from this value the amount that
corresponds to industrial contracts. The second parameter was the projects from the European
Community in which each institute participated divided by the number of corresponding researchers.
The third parameter was the number of publications per researcher per year. The fourth was the
number of patents per researcher and, finally, the fifth parameter was the number of doctoral
theses directed by each researcher.
Table III. Comparative table drawn up by the Scientific Committee.
All of these values refer to the period 2000-2004 and they were subsequently drawn up in a table
(table III). It can be seen that, except for external resources obtained per researcher, the ICMAB
ranks in first position compared with the other CSIC Materials Science Institutes. In the case of
external resources it is in second position.
th
Later, the Institute Foundation Board met on 7 November 2005, under the presidency of Prof.
Carlos Martínez Alonso, CSIC President, with Prof. Ramón Coy Ill in representation of the Secretary
of State for Universities and Research; the vice-chancellor of the Universitat Autònoma de Barcelona,
Prof. Jordi Marquet in representation of the chancellor of the UAB, etc.
Once the Institute Foundation Board was informed by the Director and having seen the report of
the Scientific Committee, following the proposal of its President, it approved the Institute Strategic
Plan.
C. OFFICIAL OPENING OF MATGAS
One of the most important milestones of the last two years has been the official opening of the
MATGAS AIE laboratories.
th
The opening consisted of two separate ceremonies, a day of conferences which took place on 16
June 2005 and an opening ceremony that consisted of two parts, a formal academic ceremony,
which was held at the UAB rectorate and a subsequent visit to the MATGAS laboratories.
The day of conferences started with an inaugural conference given by Prof. Anthony Cheetam,
director of the Centre for Materials Science of the University of California in Santa Barbara,
with the title “Multifunctional and Hybrid Materials. New opportunities for science and technology”.
Subsequently, four sessions were held on the following subjects: “European Policy in Materials
Science and Nanotechnology”, “Nanotechnology”, “Materials for Energy Storage”, and “Simulation
and Modelling”. Each of these sessions comprised a conference and a round table.
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Figure IV. Reproduction of the cover of the inaugural conference leaflet for MATGAS AIE.
The first session on European Policy, in the field of Materials Science, was initiated by a conference
by Dr. Lorenzo Vallés, Head of the Materials Unit of the European Commission on “Materials Science
th
and Nanotechnology in the 6 Framework Program”. Next, there was a round table with Dr. Luis
del Cerro of the CIRIT, Prof. Ramón Coy Ill of the Ministry of Education and Science, Mr Joan LLibre
Urpi of Carburos Metálicos, Dra. Montserrat Torné of the CSIC and finally, Prof. Marcel Van der
Voorde of the Technical Universidad of Delf. The chairman of this session was Prof. Jean Etourneau,
coordinator of the FAME network (NoE) and director of the Materials Institute of Bordeaux.
In the second session on nanotechnologies, the chairman was Prof. Emilio Lora Tamayo,
UAB-CSIC. The inaugural conference was given by Prof. Helmut Dosch of the Max Plank Institut fur
Metallforshung in Stuttgart, the title of which was “Advanced Analysis in Nanospace: From Fundamental
Research to New Technologies”, in the round table Dr. Frank Distefano of Air Products, Prof. Albert
Figueras of ICMAB-CSIC, Dr. Marcos Gomez of the BASF company, Prof. Josep Samitier of the UB
and Prof. Jaume Veciana of the ICMAB-CSIC took part.
In the third session on “Materials for Energy Storage” the chairman was Dr. Guido Pez from Air
Products. The conference was given by Prof. Bjorn Hauback of the Institute for Energy Technology
of Norway. The title of the conference was “Materials for Hydrogen Technology”. In the round table
that followed Antoni Julià of Gas Natural, Joan Ramón Morante of the UB, Xavier Obradors of the
ICMAB-CSIC, Agustín Rodríguez of the ICMSE-CSIC in Seville and Javier Rodríguez Viejo of the UAB
took part.
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Figure V. Presidency of the opening academic ceremony of MATGAS AIE.
Finally, in the fourth session on “Simulation and Modeling”, the chairmen were Dr. Carlos Valenzuela
and Dr. Brian Petersson of Air-Produts. The conference was also given by Prof. Cheetam on
“Challenges for Simulation from Materials Science”. In the round table were Dr. Hanson Cheng of
Air Products, Dr. Philippe Ghosez of the Université de Liège, Dr. Agustí Lledós of the UAB, Dr. Pablo
Ordejón of the ICMAB-CSIC and Dr. Lourdes Vega of the ICMAB-CSIC.
The formal academic ceremony also took place in the official meeting room of the UAB rectorate
under the presidency of the Rector, Prof. Lluís Ferrer, of the president of the CSIC, Prof. Carlos
Martínez; of the General Secretary of Industry of the Ministry of Industry, Prof. Trullén; of the General
Secretary of Research of the Ministry of Education and Science, Prof. Barberà; of the General
Director of Research of the Generalitat de Catalunya, Dr. Hernández and the president of the
Administration Board of MATGAS, Mr. Erwin Zwicky.
The MATGAS director, Dr. Javier Sánchez, made a presentation of the Institute and finally the
Rector closed the ceremony which continued with a visit to the MATGAS laboratories.
Figure VI. Inaugural visit to the MATGAS laboratories (from right to left, Javier Sánchez, Erwin Zwicky, Lluís Ferrer, Carlos Martínez,
Carles Solà, Lluís Calvo and Esther Crespo).
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D. PUBLICATIONS
Research activity at the Institute is shown by its publications. Table IV gives a bar chart which
shows the number of articles published in journals included in the SCI since the Institute was
founded in 1987.
Table IV. Evolution of the number of articles published in SCI journals.
It can be seen from the table that scientific production has approximately four stages. The first
from 1987 to 1989 in which 50 articles were published annually; a second stage from 1990 to
1996 in which between 60 and 100 articles were published annually; a third stage from 1997 to
2003 in which more than 100 articles were published, reaching a maximum in 2002 of 180. And
finally the fourth stage that corresponds to 2004 and 2005 which this report is concerned with.
This increase in publications is fundamentally due to the progressive increase in staff. In addition,
the constant and progressive increase of the budgets has favoured this steady growth.
Table V shows the relationship between the increase of personnel and the number of articles
published since 1992 and it evaluates the influence that the relationship between permanent and
non-permanent staff has on this process.
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Table V. Number of articles published each year and permanent and non-permanent staff.
Apart from the number of articles published, it is also important to mention the impact factor of
the journals where the articles have been published. Therefore, in Table VI articles those have
been published in journals with an impact factor higher than 3.47 have been included and the
number of published articles in these journals each year since 1997. The average number of
articles published for each staff researcher and year is approximately 5.
Table VI. List of articles published in journals with a high impact factor since 1997.
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It can be seen that the number of articles published in journals with the highest impact factor in
the field of Materials Science corresponds to Angewante Chimie, Advanced Materials, Phys Review
Lett., JACS, etc., which publish approximately the same number of articles each year, except for
JACS, which reached 8 articles in 2005 and Phys Review Lett. with 5 articles in this year.
To sum up, more than a third of the articles published in the last two years have been in journals
with an impact factor higher than 3.47.
Table VII shows the number of articles published in function of subjects. Most of the articles
correspond to Inorganic and Organometallic Materials with 65 articles and after Magnetic Materials
with 35 articles. The third subject with the greatest number of articles corresponds to Characterization
Methodologies, Optical Properties and Crystal Growth with 30 articles. The distribution of published
articles by subjects is in some cases subjective, but it gives us a general idea of the weight that
each one has. As mentioned at the beginning of this chapter, these sections, which in some cases
are not too clearly defined, have been kept in order to maintain comparative continuity since the
Institute was founded.
Table VII. Number of articles published in journals included in the SCI, classified by subject.
Table VIII also shows the number of articles published by groups and departments. As can be
seen, there is an important asymmetry between scientific production of the different groups and
departments as well as an important annual variation. The Strategic Plan proposes to change
some groups into Departments in order to have a departmental administrative structure that is
closer to the true research situation at the Institute.
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Table VIII. Number of articles published since 1997 by groups and departments at the Institute.
Until now, we have shown different tables and values only obtained through comparison of data
from within the Institute itself. However, in order to carry out a reliable comparison with other
centres and institutes of the CSIC we have taken the following data from the monograph “Indicadores
Bibliométricos de la Actividad Científica Española” (1990-2004) published by the FECYT.
Therefore, in Table 32 “Instituciones Sector CSIC-Registro de Indicadores Básicos 2004” on page
198 (table IX) it can be seen that in the CSIC, the first two institutes in number of documents
published are ICMM, in first place, followed by our institute, the ICMAB. It is clear that if these
values are divided between the number of permanent researchers, which is approximately half in
the Barcelona centre, production per researcher would show a much greater value in the case of
the ICMAB.
Table IX. CSIC Institutes classified by number of documents (1990-2004). FECYT.
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In the same table are included another series of values where perhaps the most important is the
% of total publications of the Institutes within the CSIC, which in our case is 5.50 %. This is to say
that the ICMM and ICMAB account for almost 13 % of the number of documents in the CSIC.
Furthermore, in the same monograph, page 249, graph 230 “Relación Producción-Citación” (table
X), it can be seen that the ICMAB occupies the sixth position behind the CNB, CIB, CIDES, IEMA,
etc., in relation to documents published and citations.
Table X. Relationship between citations and documents of CSIC Institutes. FECYT.
Therefore, compared with other CSIC institutes, the ICMAB is in a very relevant position in terms
of published work: second in number of articles published and sixth in terms of citations by articles.
E. PATENTS
Nine patents were filed for between 2004 and 2005. The trend observed in recent years is an
increase in the number of patents, especially in research subjects that have reached a sufficient
degree of maturity.
Most of the patents are focussed on procedures to obtain materials; one of them corresponds to
the development of a product. Four of the patents have been filed for in collaboration with private
companies and these companies are the patent holders. Two patents have been developed in
collaboration with other research centres and ownership of the patents is shared between the
centres.
Classification of patents according to ICMAB research lines and according to the departments to
which the authors belong can be seen in table XI.
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(*) Research lines are the same in the section C of this presentation.
Table XI. Patents filed for by the ICMAB by research lines and departments during 2004 and 2005.
The accumulated experience at the ICMAB-CSIC as regards licensing patents to companies advises
us that it is not easy to license patents for procedures. In most cases it is necessary to develop
the patent to achieve the design of a product that might interest companies so that they have
suitable conditions to enter a market.
The necessary funding for this stage of development is not easy to obtain immediately. If a company
is contracted on a research project, in most cases it will not license the product and if a product
that can be marketed is obtained, the conditions of the contract are not normally favourable for
ownership of the results by the CSIC. It would be necessary to find an immediate mechanism, with
Institute financial resources in order to finance these pre-competitive development research lines
so that the researchers can file for patents immediately in order to licence them afterwards in the
best economic conditions.
F. PERSONNEL
In Table V the variation of the number of persons that have worked at the ICMAB since 1992. Growth
of permanent staff has shown a steady continuous increase since 1992. On the other hand, contracted
staff had a maximum in 2002. Since then, there has been a substantial decrease in the number of
contracted staff, although economic resources have increased significantly during this period of time.
So, the increase activity in our Institute has been absorbed by the existing personnel. The reason is
due to the administrative difficulties in contracting scientific staff imposed by the CSIC.
The problem can be magnified in future years if appropriate measures are not taken. The administrative
difficulties in order to contract people from countries that do not belong to the European Union
are becoming more and more difficult. Furthermore, there are substantial difficulties for institutes
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to award grants to doctorate students with their own resources. This has meant that the number
of students decreased significantly in 2004 and 2005.
This fact can produce an important decrease in competitiveness at an international level of some
of the research groups at our Institute. If all of the above is combined with the low salaries of the
contracts and grants, it would mean the end of the stages that have led us to become scientifically
competitive on the international scene. In this section we should also take into account the fact
that approximately 25 % of the staff that presently work at the ICMAB is foreign.
It is also possible to see that in spite of the efforts made to open new posts for permanent
scientists, the relationship between these and non-permanent staff remains very high.
We therefore do not think that it is efficient to limit and lengthen contracting processes as the
results of the last two years show that there is an important loss of the number of doctorate and
post-doctorate students, which, in the end, continues being a “key” resource for the future of
science development in Spain. We can clearly see in the table V the continuous decrease of
non-permanent staff since 2002.
In addition, the lack of suitable technical staff who work in general services and scientific-technical
services makes it very difficult to maintain the general services operative at the ICMAB, especially
when there is a turnover of 35 % of non-permanent staff each year.
Table XII shows the permanent staff that has joined the ICMAB since 2001.
Table XII. Permanent staff that has joined the indicated positions since 2001.
G. BUDGETS
Table XIII shows the variation of the global budget of the Institute in Euros.
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Table XIII. Variation of the total annual budget since 1994 in Euros.
As can be seen, the budgets for 2004 and 2005 were greater than 2003, although they were
practically the same amount. There has been steady growth of the budget since 1994 with a
maximum in 1997 and another in 2001, which correspond to the loans for construction of the
third floor and refurbishing the library and the building. Finally, in 2004 and 2005 the budget
increased considerably reaching 9 million Euros including all of the revenues from the CSIC and
salaries of the civil servants.
It is interesting to see that the % of the ordinary budget (figure VII) has decreased. In 2002 it was
17 % of the total budget and it reached 4 % in 2004. It is both essential and urgent to increase
this budget item, as it only covers an increasingly smaller part of the annual expenses that come
under this concept.
At present, most of the overheads are used to cover ordinary expenses at the Institute, thus
preventing them from having the minimum autonomy in order to initiate or develop research activities
which could represent interesting perspectives in the future. This fact decreases competitiveness
of institutes and fractionates scientific objectives, as the Institute itself does not have the minimum
resources to carry out a policy of internal scientific cohesion.
The % of the budget that is allocated for personnel has remained steady between a minimum of
49 % in 2004 and a maximum of 56 % in 2005, which are the minimum and maximum values for
the last 7 years. Therefore this percentage remains the same and is significantly lower than the
global value for the CSIC.
As always, the % of the budget that corresponds to projects financed by the EU showed a spectacular
maximum in 2004 of 23 % of the total budget and 11 % in 2005. A similar phenomenon, but on
a lower scale, occurred with the CICYT which varies between 10 % and 18 % and depends, as in
the case of the UE, on different calls. It is therefore very important to maintain diversity in the
sources of funding due to annual variability in order to maintain total values with sufficient continuity.
It should be pointed out that economic contributions from the CSIC theoretically allocated in a
competitive way have gone from 7 % in 2004 to 2 % in 2005.
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Contributions from industrial contracts have represented approximately 5 or 6 % for the last two
years, although in 1999 they reached a value of 14 %, in other words proportionally more than
double. This fact is directly related with the stetting up of MATGAS AIE, as the Carburos Metálicos
projects are carried out at MATGAS and also to workload and project saturation by consolidated
research groups.
To sum up, we can state that ICMAB incomes for the last two years have been high and the Institute
can be considered to be one of the most competitive of the CSIC from this point of view.
Figure VII. Distribution and origin of the budget for 2004 and 2005.
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Esta memoria es la novena que hemos realizado desde la creación del Instituto de Ciencia de
Materiales de Barcelona, en 1987, y corresponde a las actividades más destacadas llevadas a
cabo durante los años 2004 y 2005.
A diferencia de las dos anteriores, es bianual. En la memoria anterior justificábamos el hecho de
haber pasado de los dos años a tres, por la utilización sistemática y generalizada de la web del
Instituto (www.icmab.es) como medio de información más accesible y dinámico. Pero esta vez,
debido a un cambio de ciclo, hemos creído oportuno volver a una periodicidad de dos años. Por
ello, hemos hecho un importante esfuerzo de concreción, de manera que la memoria sea más
corta que las anteriores.
Este primer capítulo incluye una presentación. El segundo capítulo muestra una selección de los
highlights más representativos y la actividad científica, tecnológica y divulgadora de los investigadores
de nuestro instituto.
El tercer capítulo comprende una descripción del Instituto, de su organigrama de funcionamiento,
del personal, etc. El capítulo describe los departamentos y los grupos de investigación. De cada
departamento y/o de cada grupo de investigación, se incluye un resumen de los progresos en
investigación realizados durante estos dos años.
El cuarto capítulo está formado por los artículos científicos publicados en revistas, libros y
proceedings, clasificados por años y por materias. La clasificación adoptada para distribuir los
artículos por materias, se ha mantenido a partir de las primeras memorias, a fin de poder establecer
las comparaciones pertinentes, y es la siguiente:
A.– Química y Física Teórica; Modelización y Simulación de Materiales.
B.– Materiales Magnéticos.
C.– Materiales Superconductores.
D.– Compuestos Inorgánicos, Organometálicos y de Coordinación.
E.– Materiales Orgánicos.
F.– Metodologías, Caracterización, Propiedades Ópticas y Crecimiento Cristalino.
A su vez, dentro de estas materias, los artículos se han clasificado siguiendo el índice de impacto
de las revistas donde han sido publicados.
En el capítulo quinto se incluye la relación de los proyectos financiados, los contratos de
investigación, las contribuciones a congresos y conferencias, las tesis doctorales leídas y,
finalmente, los premios y otros méritos destacables conseguidos por los investigadores del
Instituto. También se incluye en este capítulo una relación de las conferencias impartidas por
invitados externos al ICMAB.
A. ACTIVIDADES MÁS DESTACADAS
En la tabla I se incluyen los hitos más importantes de la evolución, que desde el punto de vista
administrativo, ha tenido el Instituto desde su creación en 1987.
En primer lugar, podemos ver en la tabla I, que el primer hito correspondiente al año 2004, fue la
reestructuración del Instituto con la creación de un nuevo departamento que se denomina
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Departamento de Nanociencia Molecular y Materiales Orgánicos y que engloba a todo el grupo de
investigación que dirige el Prof. Jaume Veciana.
También se creó, una nueva Unidad de Servicios Científico-Técnicos, mediante la cual se gestionan
todos los instrumentos científicos que dan servicio a varios grupos de investigación, tanto del
Instituto como externos. Esta Unidad la dirige uno de los dos vicedirectores, el Prof. Xavier Obradors,
y la coordina el Dr. Xavier Granados, TSE. En el tercer capítulo se puede encontrar una breve
descripción de los equipos de que dispone, su personal y su organización.
Otro hito que creemos que será de gran importancia para el futuro del Instituto, ha sido la
participación de diversos grupos de investigación en la creación de redes de excelencia (NoE),
financiadas por el VI Programa Marco, de la CE. Estas redes están formadas por los grupos
europeos de excelencia más destacados de la especialidad. Estas NoEs deben convertirse, después
de cuatro años de actividad, en Institutos Europeos Virtuales de Excelencia.
Así, un grupo de investigación participa en la red ALISTORE (Advanced Lithium Batteries, Energy
Storage System based on the use of Nanopowders and Nanocomposites Electrodes); otro grupo en
la red MAGMANet (Molecular approach to Nanomagnets and Multifunctional Materials) y finalmente,
en la red FAME (Functionalised Advanced Materials Engineering of Hybrids and Ceramics) participan
diversos grupos del Instituto. Todas ellas tienen por objetivo agrupar y generar una masa crítica
de investigadores y técnicos de excelencia en el conjunto de Europa que de lugar, finalmente, a
un instituto de investigación virtual de ámbito europeo.
B. PLAN ESTRATÉGICO
Deberíamos denominar estos dos años 2004-2005 como los años del Plan Estratégico.
Siguiendo las directrices del CSIC, se elaboró cuidadosamente el Plan Estratégico 2006-2009
con la colaboración de todo el Instituto. El Plan puede encontrarse en la web del ICMAB
(www.icmab.es), tanto en lengua inglesa como en lengua española. Es un plan muy detallado de
315 páginas que contiene, además de una revisión de todas las actividades previas, la planificación
con mucho detalle de los objetivos científicos que se prevén alcanzar hasta el año 2009.
El Plan comienza con un capítulo de información general en el que se describe la situación, la
organización, la infraestructura general, los recursos humanos, la descripción de los departamentos,
las líneas de investigación, los servicios y las relaciones externas, convenios etc., a enero de
2005. En el segundo capítulo se incluyen estos datos con más detalle utilizando unas plantillas
prediseñadas por el CSIC, el personal, los equipos y los presupuestos. En el tercer capítulo figuran
las cinco dimensiones que configuran la actividad del Instituto:
Dimensión 1: Captación de recursos financieros de naturaleza competitiva.
Dimensión 2: Producción científica y técnica.
Dimensión 3: Interacción con el entorno productivo y social. Internacionalización.
Dimensión 4: Formación de investigadores y actividad postdoctoral.
Dimensión 5: Actividades de fomento de la cultura científica y divulgación.
El capítulo cuarto es, en realidad, la base del plan, ya que en él se describen las fortalezas, las
debilidades, las oportunidades, las amenazas y el análisis integrado del conjunto, con la misión y
la visión, y los objetivos de la investigación y, finalmente, se incluyen los criterios de evaluación.
En el último capítulo se detallan las actuaciones necesarias para alcanzar los objetivos previstos.
Finalmente, se realiza un resumen ejecutivo del Plan Estratégico, en el que cabe resaltar las diez
líneas de investigación y la identificación de las oportunidades externas que las condicionan, y
que son:
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A.– La creación del clúster o plataforma de nanotecnología, en el entorno de la esfera UAB.
B.– La construcción y puesta en marcha, en el año 2009, del sincrotrón ALBA, también en el
entorno de la UAB.
C.– La puesta en marcha e inauguración de los laboratorios de MATGAS 2000 AIE, conectados
físicamente con el ICMAB, del CSIC. MATGAS es una agrupación de interés económico entre
el ICMAB-CSIC (22 %), la UAB (12 %) y la empresa Carburos Metálicos SA (66 %), que tiene
por objetivo la ejecución de investigación en el área de materiales y gases.
D.– La creación del Centro de Referencia de la Generalitat de Catalunya para el estudio de materiales
avanzados para la energia (CeRMAE), centro virtual financiado por la Generalitat de Catalunya,
en el que participan dos grupos del ICMAB.
E.– La aprobación de tres redes de excelencia financiadas por el VI Programa Marco, que tienen
por objetivo la creación de institutos virtuales de excelencia a nivel europeo.
F.– Puesta en marcha de Mare Nostrum, que es el cuarto computador más potente del mundo, y
que acaba de inaugurarse en el Centro de Supercomputación de Catalunya, ubicado en la UPC
(Universitat Politècnica de Catalunya), y que se encuentra conectado a la anilla científica de
las universidades catalanas al que tenemos acceso vía UAB.
Estas seis oportunidades externas son la base del Plan Estratégico y modulan las líneas de
investigación que son las siguientes:
Línea 1.– Materiales moleculares y supramoleculares funcionales. Electrónica molecular.
Magnetismo molecular.
Línea 2.– Procesado, crecimiento y caracterización de láminas delgadas y multicapas, y
nanoestructuras oxídicas con propiedades funcionales (iónicas, magnéticas,
superconductoras, etc).
Línea 3.– Procesado de materiales. Electroquímica aplicada a la síntesis. Procesado con fluidos
comprimidos.
Línea 4.– Diseño, síntesis, caracterización y aplicación de catalizadores homogéneos.
Línea 5.– Materiales derivados de la química de los metales de transición y de los grupos
principales.
Línea 6.– Preparación por vía química y caracterización de cintas superconductoras
nanoestructuradas epitaxiales y materiales híbridos.
Línea 7.– Preparación y estudio de las propiedades ópticas de heteroestructuras de
semiconductores.
Línea 8.– Estructura electrónica y simulación de materiales y procesos.
Línea 9.– Nuevos métodos de resolución de estructuras por difracción de rayos X con fuentes
convencionales o de sincrotrón, difracción de neutrones y cristalografía de superficies.
Línea 10.– Integración de materiales en dispositivos para aplicaciones eléctricas de potencia y
magnetoelectrónicas.
La Tabla II se ha extraído del Plan Estratégico, y en ella figura la auto-evaluación de las líneas de
investigación, así como su relevancia, etc.
Asimismo, en el último capítulo del Plan Estratégico, se exponían las actuaciones necesarias para
alcanzar los objetivos propuestos; estas actuaciones se agrupaban en siete apartados.
El primer apartado se refería a las modificaciones organizativas que eran necesarias implantar y
que resumimos en la figura II, en donde puede verse indicada la creación de una nueva Unidad
de Gestión de Proyectos.
Además, se opta por un sistema descentralizado de gestión en el seno del Instituto, propiciando
la creación de una Secretaria de Coordinación Administrativa para cada uno de los departamentos
existentes.
El segundo apartado se refería al espacio necesario para desarrollar las propuestas del Plan
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Estratégico. En el plan se proponía la construcción de una cubierta fotovoltaica (figura III), que
2
permitía a su vez ampliar la superficie útil del ICMAB en, aproximadamente, 400 m en laboratorios
y despachos.
El tercer apartado analizaba la infraestructura científica necesaria, contemplando la renovación
de equipos, la dotación económica necesaria para la adquisición de nuevos equipos para los
laboratorios de nanoestructuración de materiales por vía química (NANOQUIM), de un laboratorio
de manipulación y análisis de superficies, de la adquisición de equipos complementarios. Todo
ello implicaba un presupuesto de aproximadamente 5 millones de euros a invertir en 5 años.
El cuarto apartado preveía la creación de nuevos puestos permanentes de científico titular y los
cuantificaba con un mínimo de tres anuales. También hacía hincapié en la necesidad de personal
técnico, con destino en los servicios generales, servicios científico-técnicos y en los departamentos,
y se consideraba necesario incorporar en total 20 técnicos de niveles diferentes durante los años
de duración del Plan Estratégico.
El quinto apartado se refería a los recursos económicos, el sexto a los proyectos científicotecnológicos, en el que se exponía la necesidad de la creación de nuevos departamentos (8 al
final del proceso) y de la inclusión de NANOQUIM como un servicio científico-técnico general del
Instituto, etc.
Finalmente, el último apartado sobre actividades de fomento de la cultura científica y/o divulgación,
proponía el lanzamiento de una Newsletter periódica sobre las actividades del Instituto y de aquellos
temas más importantes en el mundo de los nuevos materiales.
Una vez presentado al CSIC, este plan estratégico fue evaluado por un comité propuesto por la
ESF (European Science Foundation) (rewiev Panel 14. Materials Science) presidido por el Prof.
Herbert Gleiter y formado por el Prof. Orlando Auciello, la Prof. Gisela Schütz, el Prof. Georges
Boulon, el Prof. Erio Tossatti, el Prof. Stuart Hampshire y el Prof. Hans Eckhardt Hoenig.
Fue presentado oralmente a dicho comité por el Prof. Carlos Miravitlles, director del Instituto, el
día 21 de septiembre de 2005. La defensa del Plan y las respuestas a las preguntas concretas
del comité fueron contestadas y discutidas, a parte de por el propio Director y por los Profs. Xavier
Obradors (vicedirector), Enric Canadell y Concepció Rovira.
Finalmente, el Comité presentó su report final a la Presidencia del CSIC. En él juzgaba el plan
presentado por el ICMAB como altamente positivo. Por ello, creemos que es justo incluir en esta
memoria, al menos un párrafo de dicho informe, en el que elogia y deja bien claro que la estrategia
seguida por el ICMAB es la adecuada.
The Panel was led to conclude that two kinds of research strategies exist presently in the CSIC
Institutes. The ICMAB focuses on relatively few lines of research that appear to be the most promising
ones. The decisions about these research lines are made by the director of the ICMAB, after consulting
with the scientists involved. In the ICMAB, the director is appointed by a foundation. The second kind
of research strategy seems to be realized in the ICMA, ICMM, ICMS and UFM. These four Institutes
work on a variety of research projects. The choice of these projects depends to a large extent on the
funding situation:
Projects that are approved for funding go ahead. The directors of the four CSIC Institutes are elected
by the Institutes´ scientists. In these Institutes, the directors have little influence on the Institutes´
research portfolios.
The Peer Review Panel supports the approach taken by the ICMAB. In that sense, it has worked out
a list of recommendations concerning the future research strategy of the CSIC Institutes. This list is
structured in the following three organizational levels.
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El Comité Científico, a fin de evaluar las actividades de los diferentes institutos, definió cinco
parámetros. El primero fue el presupuesto obtenido por investigador, y de este valor, el importe
de los contratos industriales. El segundo parámetro fueron los proyectos de la Comunidad Europea
en que participó cada instituto dividido entre el número de investigadores correspondiente. El
tercer parámetro fueron las publicaciones por investigador y año. El cuarto, el número de patentes
por investigador, y finalmente, el quinto parámetro fue el número de tesis doctorales dirigidas por
cada investigador.
Todos estos valores se refieren al periodo 2000-2004. Con todo ello el Comité elaboró una tabla
(tabla III), en la que como puede observarse, excepto en recursos externos obtenidos por investigador,
el ICMAB ocupa la primera posición en relación a los otros institutos de ciencia de materiales del
CSIC, y en el caso de recursos externos ocupa la segunda posición.
Más tarde, se reunió el Patronato del Instituto el día 7 de noviembre de 2005, bajo la presidencia
del Prof. Carlos Martínez Alonso, presidente del CSIC, con la asistencia del Prof. Ramón Coy Ill en
representación del Secretario de Estado de Universidades e Investigación; del rector de la Universidad
de Barcelona, del vicerrector Prof. Jordi Marquet representante del rector de la UAB, etc.
El Patronato, una vez informado por el Director y a propuesta de su Presidente y visto el informe
del Comité Científico, aprobó el Plan Estratégico del Instituto.
C. INAUGURACIÓN DE MATGAS
Uno de los hitos más destacados de estos dos años fue sin duda, la inauguración de los laboratorios
de MATGAS AIE.
La inauguración se estructuró en dos actos separados: una jornada de conferencias que tuvo
lugar el 16 de junio de 2005, y el acto protocolario propiamente dicho, que tuvo a su vez dos
partes, el acto académico que se celebró en el rectorado de la UAB y una visita posterior a los
laboratorios de MATGAS.
La jornada de conferencias se inició con una conferencia inaugural que impartió el Prof. Anthony
Cheetam, director del Center for Materials Science de la Universidad de California en Santa Bárbara,
con el título de “Multifunctional and Hybrid Materials. New opportunities for science and technology”.
Posteriormente, se realizaron cuatro sesiones sobre los temas siguientes: “European Policy in
Materials Science and Nanotechnology”, “Nanotechnology”, “Materials for Energy Storage” y
“Simulation and Modelling”. Cada una de estas sesiones comprendía una conferencia y a continuación
una mesa redonda.
La primera sesión sobre política europea, en el área de Ciencia de Materiales, fue iniciada por
una conferencia del Dr. Lorenzo Vallés, Head of the Materials Unit de la Comisión Europea, sobre
“Materials Science and Nanotechnology in the 6 Framework Program”. A continuación, en la tabla
redonda intervinieron el Dr. Luís del Cerro del CIRIT, el Prof. Ramón Coy Ill del Ministerio de Educación
y Ciencia, el Sr. Joan LLibre Urpi de Carburos Metálicos, la Dra. Montserrat Torne del CSIC y
finalmente, el Prof. Marcel Van der Voorde de la Universidad Técnica de Delf. El chairman de esta
sesión fue el Prof. Jean Etourneau, coordinador de la red FAME (NoE) y director del Instituto de
Materiales de Burdeos.
En la segunda sesión sobre nanotecnologías el chairman fue el Prof. Emilio Lora Tamayo, UABCSIC. La conferencia inaugural la impartió el Prof. Helmut Dosch del Max Plank Institut fur
Metallforshung de Stuttgart, el título de la cual fue “Advanced Analysis in Nanospace: From
Fundamental Research to New Technologies”, en la mesa redonda que se celebró a continuación,
intervinieron el Dr. Frank Distefano de Air Products, el Prof. Albert Figueras del ICMAB-CSIC, el
Dr. Marcos Gómez de la compañía BASF, el Prof. Josep Samitier de la UB y el Prof. Jaume Veciana
del ICMAB-CSIC.
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En la tercera sesión sobre “Materials for Energy Storage” actuó de chairman el Dr. Guido Pez de
Air Products. La conferencia fue impartida por el Prof. Bjorn Hauback del Institute for Energy
Technology de Noruega, el título de la conferencia fue “Materials for Hydrogen Technolog”. En la
mesa redonda participaron, Antoni Julià de Gas Natural, Prof. Joan Ramón Morante de la UB, Prof.
Xavier Obradors del ICMAB-CSIC, Prof. Agustín Rodríguez del ICMSE-CSIC de Sevilla y Prof. Javier
Rodríguez Viejo de la UAB.
Y finalmente, en la cuarta sesión sobre “Simulation and Modeling”, los chairmans fueron los Drs.
Carlos Valenzuela y Brian Petersson de Air-Produts. La conferencia la impartió también el Prof.
Cheetam sobre “Challenges for Simulation from Materials Science”. Y en la mesa redonda participaron
los Drs. Hanson Cheng de Air Products, Philippe Ghosez de la Université de Liège, Agustí Lledós
de la UAB, Pablo Ordejón del ICMAB-CSIC y Lourdes Vega del ICMAB-CSIC.
El acto académico formal se celebró en la sala de actos del rectorado de la UAB, bajo la presidencia
del Rector, Prof. Lluís Ferrer; del presidente del CSIC, Prof. Carlos Martínez; del Secretario General de
Industria del Ministerio de Industria, Prof. Trullén; del Secretario General de Investigación del Ministerio
de Educación y Ciencia, Prof. Barberà; del Director General de Recerca de la Generalitat de Catalunya,
Dr. Hernández y del presidente del Consejo de Administración de MATGAS, Sr. Erwin Zwicky.
El director de MATGAS, el Dr. Javier Sánchez, hizo una presentación del nuevo centro y, finalmente,
el Rector cerró el acto que continuó con una visita a los laboratorios de MATGAS y un refrigerio
en el propio edificio.
D. PUBLICACIONES
La actividad investigadora del Instituto se refleja fundamentalmente en sus publicaciones. Así, en
la tabla IV se muestra un diagrama de barras en el que figura el número de artículos publicados
en revistas incluidas en el SCI desde la creación del Instituto en 1987.
Puede observarse en esta tabla, que la producción científica muestra aproximadamente cuatro
etapas. La primera desde 1987 hasta 1989, en la que se publicaron menos de 50 artículos
anuales; una segunda etapa desde 1990 hasta 1996, en la que se publicaron entre 60 y 100
artículos anuales; una tercera etapa a partir de 1997 hasta 2003, en la que se sobrepasan los
100 artículos con un máximo de 180 en 2002. Finalmente, una nueva etapa en la que se superan
los 200 artículos y que corresponden a los años 2004 y 2005, que son los de esta memoria.
Este aumento de publicaciones se debe, fundamentalmente, al progresivo aumento de personal.
También el aumento constante y progresivo de los presupuestos favorece que se mantenga este
crecimiento sostenido.
En la tabla V se puede ver, también desde 1992, la relación entre el aumento de personal y el
número de artículos publicados, y valorar la influencia que en este proceso tiene la relación entre
el personal permanente y el personal no permanente.
Además de la cantidad de artículos publicados, es necesario destacar el índice de impacto de las
revistas donde se publica. Así, en la tabla VI, se han incluido las revistas con un índice de impacto
superior a 3,47 y el número de artículos publicados en estas revistas cada año desde 1997. El
número medio de artículos publicados por cada investigador de plantilla y año, es de 5
aproximadamente.
Puede verse, que el numero de artículos publicados en las revistas de índice más elevado del
área de Ciencia de Materiales, corresponde a Angewante Chimie, a Advanced Materials, a Phys
Rewiev Lett., a JACS, etc., que mantienen aproximadamente el mismo número de artículos cada
año, excepto JACS, que ha llegado a 8 artículos en 2005 y Phys. Rewiew Letters también a 5
artículos.
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En resumen, más de una tercera parte de los artículos publicados durante estos dos años lo han
sido en revistas con un índice de impacto superior a 3,47.
En la tabla VII se indica el número de artículos publicados clasificados por materias. Así, el mayor
número de artículos corresponde a Materiales Inorgánicos y Organometálicos con 65 artículos, después,
a Materiales Magnéticos con 35 artículos. Y la tercera materia con mayor número de artículos,
corresponde a Metodologías de Caracterización, Propiedades Ópticas y Crecimiento de Cristales con
30 artículos. La distribución de los artículos publicados por materias, es en algunos casos subjetiva,
pero nos da una idea general del peso que tiene cada uno de estos apartados. Como se indica al
principio de este capítulo, se mantienen estos apartados, que en algunos casos no son demasiado
definidos, para poder tener una continuidad comparativa desde la creación del Instituto.
En la Tabla VIII se indica el número de artículos publicados por grupos y departamentos. Como
puede observarse, existe una importante asimetría entre la producción científica de los diferentes
grupos y departamentos, así como, una importante variación anual. En el Plan Estratégico se
propone convertir algunos grupos en departamentos, a fin de tener una estructura administrativa
de departamentos más cercana a la realidad investigadora del Instituto.
Hasta aquí, en este apartado de publicaciones, hemos mostrado diferentes tablas y valores
obtenidos, únicamente, mediante la comparación de datos del propio Instituto; pero a fin de realizar
una comparativa fiable con otros centros e institutos del CSIC, hemos tomado los siguientes datos
de la monografía “Indicadores Bibliométricos de la Actividad Científica Española” (1990-2004)
publicada por la FECYT.
Así, en la tabla 32 “Instituciones Sector CSIC – Registro de Indicadores Básicos 2004” en la
página 198 (tabla IX) se puede observar que en el CSIC, los dos primeros institutos en número
de documentos publicados son, en primer lugar, el ICMM, y en segundo lugar, nuestro instituto, el
ICMAB. Es evidente que si estos valores se dividieran entre el número de investigadores permanentes,
que es de aproximadamente la mitad en el centro de Barcelona, la producción por investigador
daría un valor bastante más elevado en el ICMAB.
En la misma tabla se incluyen también otra serie de valores donde, quizás, el más destacado sea el %
del total de publicaciones de los institutos en el global del CSIC, que en nuestro caso seria del 5,50 %.
Es decir, entre el ICMM y el ICMAB, han producido casi el 13 % del número de documentos del CSIC.
En la misma monografía, página 249, en el gráfico 230 “Relación Producción – Citación” (tabla
X), se puede observar que el ICMAB ocupa el sexto lugar detrás del CNB, CIB, CIDES, IEMA, etc.,
en relación a los documentos publicados y citas obtenidas.
Por tanto, en relación con los otros institutos del CSIC, en el área de trabajos publicados, el ICMAB
ocupa una posición muy relevante: el segundo en número de artículos publicados y el sexto en
relación citas por artículos.
E. PATENTES
Entre 2004 y 2005 se han presentado 9 patentes. La tendencia observada en los últimos años
es de un aumento del número de patentes, especialmente, en aquellos temas de investigación
que han llegado a un grado de maduración suficiente.
La mayoría de dichas patentes se centran en procedimientos de obtención de materiales; una de
ellas corresponde al desarrollo de un producto. Cuatro de las patentes se han hecho en colaboración
con empresas privadas, siendo dichas empresas las titulares de las mismas. Se han desarrollado
dos patentes en colaboración con otros centros de investigación, siendo la titularidad compartida
con dichos centros.
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La clasificación de las patentes, según las líneas de investigación del ICMAB y según los
departamentos a los que pertenecen los autores de las mismas, se puede ver en la tabla XI.
La experiencia acumulada en el ICMAB-CSIC con respecto a la licencia de patentes a empresas, nos
dice que no resulta sencillo licenciar patentes de procedimientos. En la mayoría de los casos, es
necesario un desarrollo posterior de la patente para lograr el diseño de un producto que pueda interesar
a las empresas en la medida en que tenga las condiciones idóneas para entrar en el mercado.
La financiación necesaria para esta etapa de desarrollo no es fácil de conseguir de manera
inmediata: si se contrata con una empresa por medio de un proyecto de investigación, en la mayoría
de los casos no se licencia, y si se llega a un producto comercializable, las condiciones de dicho
contrato no suelen ser favorables a la titularidad de los resultados por parte del CSIC. Sería
necesario encontrar algún mecanismo inmediato con recursos propios del Instituto, para poder
financiar estas líneas de investigación pre-competitivas y de desarrollo para que los investigadores
puedan presentar las patentes de manera inmediata con el objeto de licenciarlas después en
mejores condiciones económicas.
F. PERSONAL
En la tabla V puede observarse la variación del número de personas que trabajan en el ICMAB
desde 1992. El crecimiento del personal permanente de plantilla refleja un crecimiento sostenido,
moderado y continuo desde 1992. Por el contrario, el personal contratado tiene un máximo en el
año 2002. A partir de este año, se produce un apreciable descenso del número de personas
contratadas, a pesar de que los recursos económicos hayan aumentado de manera considerable
en este periodo. Así pues, en el periodo 2004-2005, el aumento de la actividad de nuestro instituto
ha sido absorbido por el personal existente, debido a la enorme dificultad de contratar nuevo
personal por parte del CSIC.
El problema puede verse magnificado los próximos años si no se toman medidas al respecto. Las
dificultades administrativas para contratar personal procedente de países que no pertenecen a
la Unión Europea, es cada vez mayor. Por otro lado, las dificultades para que los propios institutos
puedan becar a los estudiantes de doctorado con sus propios recursos, hacen que el número de
estudiantes haya disminuido significativamente durante 2004 y 2005.
Este hecho puede provocar una importante disminución en competitividad a nivel internacional
por parte de los grupos de investigación de nuestro instituto. Todo ello, si se combina con los
bajos salarios de los contratos y de las becas, significaría el final de las etapas que nos han
conducido a ser competitivos científicamente en el ámbito internacional. En este apartado
deberíamos tener en cuenta también que aproximadamente un 25 % del personal que trabaja
actualmente en el ICMAB, proceden del extranjero.
También se puede observar que a pesar de los esfuerzos para crear nuevas plazas de científicos
permanentes, la relación entre éstos y el personal no permanente, continúa siendo muy elevada.
Por tanto, no pensamos que sea eficiente limitar y alargar los procesos de contratación ya que
los resultados de estos dos últimos años nos indican una importante pérdida en el número de
estudiantes de doctorado y de postdoctorado que, al fin y al cabo, continúa siendo el recurso
“clave” para el futuro del desarrollo de la ciencia en España. En la tabla V vemos claramente la
disminución continuada de personal no permanente desde el año 2002.
Por otro lado, la enorme carencia de personal técnico adecuado dedicado a los servicios comunes
y a los servicios científico-técnicos, hace muy difícil mantener operativas las estructuras comunes
del ICMAB, sobre todo teniendo en cuenta que, aproximadamente, un 35 % del personal no
permanente cambia cada año.
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En la tabla XII se incluyen con detalle desde el año 2001, las altas de personal permanente en
la plantilla del ICMAB.
G. PRESUPUESTOS
En la Tabla XIII puede verse la evolución de los presupuestos del Instituto a partir de 1994 en
euros.
Como puede verse, los presupuestos de 2004 y de 2005 han sido superiores a los de 2003,
aunque prácticamente iguales entre sí. Desde 1994, se observa un crecimiento sostenido del
presupuesto, con un máximo en 1997 y otro en 2001 que corresponden a los créditos de construcción
de la tercera planta y a la remodelación de la Biblioteca y del edificio respectivamente. Finalmente,
en los años 2004 y 2005, ha aumentado considerablemente hasta llegar a más de 9 millones de
euros incluyendo todos los ingresos que pasan por la caja del CSIC y los salarios de los funcionarios.
Es interesante observar que el % de presupuesto ordinario (figura VII), ha ido disminuyendo poco
a poco, ya que en 2002, era del 7 % del total, y se ha llegado a un 4 % en 2004. Se hace
imprescindible y urgente aumentar considerablemente este concepto presupuestario, ya que cubre
únicamente una parte cada día más pequeña de los gastos anuales atribuibles a este concepto.
Actualmente, la mayor parte del overhead se dedica a cubrir los gastos ordinarios del Instituto,
impidiendo de esta manera que tenga una autonomía mínima para iniciar o desarrollar actividades
de investigación, que en el futuro pueden representar perspectivas interesantes; este hecho ayuda
a disminuir la competitividad de los institutos y a fraccionar los objetivos científicos ya que el
propio Instituto no dispone ni de los recursos mínimos para realizar una política de cohesión
científica interna.
El % del presupuesto dedicado a personal se mantiene entre un mínimo de 49 % en 2004 y un
máximo del 56 % en 2005, que son el mínimo y el máximo de los últimos 7 años. Por tanto, en
términos generales, esta proporción se mantiene y es significativamente más baja que el global
del CSIC.
Como siempre, el % del presupuesto correspondientes a proyectos financiados por la UE muestra
un máximo espectacular en 2004 de un 23 % del presupuesto total y de un 11 % en 2005. Un
fenómeno similar, pero a menor escala, ocurre con la CICYT que varia entre un 10 % y un 18 %,
dependiendo como en la UE, de las diferentes convocatorias. Por ello, es muy importante el
mantener diversas fuentes de financiación, dada su variabilidad anual a fin de mantener en valores
totales una cierta continuidad.
Hay que señalar también que en “otros”, que son las aportaciones económicas del CSIC, aplicadas
teóricamente de forma competitiva, hemos pasado del 7 % en 2004 al 2 % en 2005.
La aportación en contratos industriales oscila alrededor del 5 % y el 6 % durante estos dos últimos
años, aunque en 1999 había llegado a ser del 14 %, es decir, más del doble en proporción. Este
hecho está directamente relacionado con la puesta en marcha de MATGAS AIE, dado que los
proyectos de Carburos Metálicos se desarrollan en MATGAS, y también a una cierta saturación
de trabajo y de proyectos por parte de los grupos de investigación consolidados.
En resumen, podemos decir que los ingresos del ICMAB durante los dos últimos años han sido
elevados y el Instituto puede considerarse como uno de los más competitivos del CSIC desde
este punto de vista.
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PRESENTACIÓ
Aquesta memòria és la novena que hem realitzat des de la creació del Institut de Ciència de
Materials de Barcelona, en 1987, i correspon a les activitats més destacades portades a terme
durant els anys 2004 i 2005.
A diferència de les dues anteriors, és bianual. En la darrera memòria justificàvem el fet d’haver
passat dels dos anys a tres, per la utilització sistemàtica i generalitzada de la Web del Institut
(www.icmab.es) com a mitjà d’informació més accessible i dinàmic. Però aquesta vegada,
degut a un canvi de cicle, hem cregut oportú tornar a una periodicitat de dos anys. Per això,
hem fet un important esforç de concreció, de manera que la memòria sigui més curta que les
darreres.
Aquest primer capítol inclou una presentació. El segon capítol mostra una selecció dels highlights
més representatius i de l’activitat científica, tecnològica i divulgadora dels investigadors del nostre
institut.
El tercer capítol comprèn una descripció de l’Institut, del seu organigrama de funcionament, del
personal, etc. El capítol descriu els departaments i els grups d’investigació. De cada departament
i/o de cada grup d’investigació, s’inclou un resum dels progressos en investigació realitzats durant
aquests dos anys.
El quart capítol està format pels articles científics publicats en revistes, llibres i proceedings,
classificats per anys i per matèries. La classificació adoptada per a distribuir els articles per
matèries s’ha mantingut a partir de les primeres memòries, amb la finalitat de poder establir les
comparacions pertinents, i és la següent:
A.– Química i Física Teòrica; Modelització i Simulació de Materials.
B.– Materials Magnètics.
C.– Materials Superconductors.
D.– Compostos Inorgànics, Organometàl·lics i de Coordinació,
E.– Materials Orgànics.
F.– Metodologies, Caracterització, Propietats Òptiques i Creixement Cristal·lí.
Dins d’aquestes matèries, els articles s’han classificat seguint l’índex d’impacte de les revistes
on han estat publicats.
Al cinquè capítol s’inclou la relació dels projectes finançats, els contractes d’investigació, les
contribucions a congressos i conferències, les tesis doctorals llegides i, finalment, els premis i
altres mèrits destacables aconseguits pels investigadors de l’Institut. També s’inclouen en aquest
capítol una relació de les conferències impartides per convidats externs a l’ICMAB.
A. ACTIVITATS MÉS DESTACADES
A la taula I s’inclouen les fites més importants de l’evolució, que des del punt de vista administratiu,
ha tingut l’Institut des de la seva creació en 1987.
En primer lloc podem veure a la taula I que la primera fita corresponent a l’any 2004 va ser la
reestructuració de l’Institut amb la creació d’un nou departament que es denomina Departament
de Nanociència Molecular i Materials Orgànics i que engloba a tot el grup d’investigació que dirigeix
el Prof. Jaume Veciana.
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Es va crear també, una nova Unitat de Serveis Científico-Tècnics, a través de la que es gestionen
tots els instruments científics que donen servei a diferents grups d’investigació, tant de l’Institut
com externs. Aquesta Unitat la dirigeix un dels dos vicedirectors, el Prof. Xavier Obradors, i la
coordina el Dr. Xavier Granados, TSE. Al tercer capítol, es pot trobar una breu descripció dels equips
que disposa, del seu personal i de la seva organització.
Un altre fet que creiem que serà de gran importància per al futur de l’Institut, ha estat la participació
de diferents grups d’investigació en la creació de xarxes d’excel·lència (NoE), finançades pel VI
Programa Marc, de la CE. Aquestes NoEs han de convertir-se, després de quatre anys d’activitat,
en Instituts Europeus Virtuals d’Excel·lència.
Així, un grup d’investigació participa a la xarxa ALISTORE (Advanced Lithium Batteries, Energy
Storage System based on the use of Nanopowders and Nanocomposites Electrodes); un altre grup
a la xarxa MAGMANet (Molecular approach to Nanomagnets and Multifunctional Materials), i finalment,
a la xarxa FAME (Functionalised Advanced Materials Engineering of Hybrids and Ceramics) participen
diferents grups de l’Institut. Totes tenen per objectiu agrupar i generar una massa crítica
d’investigadors i tècnics d’excel·lència en el conjunt d’Europa que doni lloc, finalment, a un institut
d’investigació virtual d’àmbit europeu.
C. PLA ESTRATÈGIC
Hauríem de denominar aquests dos anys 2004-2005 com els anys del Pla Estratègic.
Seguint les directrius del CSIC, es va elaborar cuidadosament el Pla Estratègic 2006-2009 amb
la col·laboració de tot l’Institut. El pla es pot trobar a la web de l’ICMAB (www.icmab.es), tant en
llengua anglesa com en llengua espanyola. És un pla molt detallat de 315 pàgines que conté, a
més d’una revisió de totes les activitats prèvies, la planificació amb molt detall dels objectius
científics que es preveuen assolir fins l’any 2009.
El pla comença amb un capítol d’informació general on es descriu la situació, l’organització, la
infraestructura general, els recursos humans, la descripció dels departaments, les línies d’investigació,
els serveis i les relacions externes, convenis etc., a gener del 2005. Al segon capítol, s’inclouen
aquestes dades amb més detall utilitzant unes plantilles predissenyades pel CSIC, el personal,
els equips i els pressupostos. Al tercer capítol figuren les cinc dimensions que configuren l’activitat
de l’Institut:
Dimensió 1: Captació de recursos financers de naturalesa competitiva.
Dimensió 2: Producció científica i tècnica.
Dimensió 3: Interacció amb l’entorn productiu i social. Internacionalització.
Dimensió 4: Formació d’investigadores i activitat postdoctoral.
Dimensió 5: Activitats de foment de la cultura científica i divulgació.
El capítol quart és, en realitat, la base del pla, ja que en ell es descriuen les fortaleses, les
debilitats, les oportunitats, les amenaces i l’anàlisi integrat del conjunt, amb la missió i la visió,
i els objectius de la investigació i, finalment, s’inclouen els criteris d’avaluació. A l’últim capítol
es detallen les actuacions necessàries per a assolir els objectius previstos.
Finalment, es realitza un resum executiu del Pla Estratègic, on s’ha de ressaltar les dieu línies
d’investigació i la identificació de les oportunitats externes que les condicionen, i que són:
A.– La creació del clúster o plataforma de nanotecnologia, en l’entorn de la esfera UAB
B.– La construcció i posada en funcionament, l’any 2009, del sincrotró ALBA, també a l’entorn de
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C.– Posada en funcionament i inauguració dels laboratoris de MATGAS 2000 AIE, connectats
físicament amb l’ICMAB del CSIC. MATGAS és una agrupació d’interès econòmic entre
l’ICMAB-CSIC (22 %), la UAB (12 %) i l’empresa Carburos Metálicos SA (66 %), que té per
objectiu la execució d’investigació a l’àrea de materials i gasos.
D.– La creació del Centre de Referència de la Generalitat de Catalunya per a l’estudi de materials
avançats per a l’energia (CeRMAE), centre virtual finançat per la Generalitat de Catalunya, en
el qual participen dos grups de l’ICMAB.
E.– L’aprovació de tres xarxes d’excel·lència finançades pel VI Programa Marc, que tenen per
objectiu la creació d’instituts virtuals d’excel·lència a nivell Europeu.
F.– Posada en funcionament de Mare Nostrum, que és la cambra computadora més potent del
món, i que s’acaba d’inaugurar en el Centre de Supercomputació de Catalunya, situat en la
UPC (Universitat Politècnica de Catalunya), i que es troba connectat a l’anella científica de les
universitats catalanes, al que tenim accés via UAB.
Aquestes sis oportunitats externes són la base del Pla Estratègic i modulen les línies d’investigació
que són les següents:
Línia 1.– Materials moleculars i supramoleculars funcionals. Electrònica molecular. Magnetisme
molecular.
Línia 2.– Processat, creixement i caracterització de làmines primes i multicapes, i nanoestructures
oxídiques amb propietats funcionals iòniques, magnètiques, superconductores, etc).
Línia 3.– Processat de materials. Electroquímica aplicada a la síntesi. Processat amb fluids
comprimits.
Línia 4.– Disseny, síntesi, caracterització i aplicació de catalitzadors homogenis.
Línia 5.– Materials derivats de la química dels metalls de transició i dels grups principals.
Línia 6.– Preparació per via química i caracterització de cintes superconductores nanoestructurades
epitaxials i materials híbrids.
Línia 7.– Preparació i estudi de les propietats òptiques d’heteroestructures de semiconductors.
Línia 8.– Estructura electrònica i simulació de materials i processos.
Línia 9.– Nous mètodes de resolució d’estructures per difracció de RAIGS X amb fonts convencionals
o de sincrotró, difracció de neutrons i cristal·lografia de superfícies.
Línia 10.– Integració de materials en dispositius per a aplicacions elèctriques de potència i
magnetoelectròniques.
La Taula II s’ha extret del Pla Estratègic i en ella figura l’autoavaluació de les línies d’investigació,
així com la seva rellevància, etc.
Així mateix, en l’últim capítol del Pla Estratègic, s’exposaven les actuacions necessàries per a
arribar a els objectius proposats; aquestes actuacions s’agrupaven en set apartats.
El primer apartat es referia a les modificacions organitzatives que eren necessàries implantar i que
resumien en la figura II, on es pot veure indicada la creació d’una nova Unitat de Gestió de Projectes.
A més, s’opta per un sistema descentralitzat de gestió dins l’Institut, propiciant la creació d’una
Secretària de Coordinació Administrativa para cadascun dels d’apartaments existents.
El segon apartat es referia a l’espai necessari per a desenvolupar les propostes del Pla Estratègic.
En el pla es proposava la construcció d’una coberta fotovoltaica (figura III) que permetria alhora
2
ampliar la superfície útil de l’ICMAB en, aproximadament, 400 m en laboratoris i despatxos.
El tercer apartat analitzava la infraestructura científica necessària, contemplant la renovació
d’equips, la dotació econòmica necessària per a l’adquisició de nous equips per als laboratoris
de nanoestructuració de materials per via química (NANOQUIM), d’un laboratori de manipulació i
anàlisi de superfícies, de l’adquisició d’equips complementaris. Tot això implicava un pressupost,
d’aproximadament, 5 milions d’euros a invertir en 5 anys.
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El quart apartat preveia la creació de noves places permanents de científic titular i les quantificava
amb un mínim de tres anuals. També feia èmfasi en la necessitat de personal tècnic, amb destinació
als serveis generals, serveis científico-técnics i en els departaments, i es considerava necessari
incorporar en total 20 tècnics de nivells diferents durant els anys de duració del Pla Estratègic.
El cinquè apartat es referia als recursos econòmics, el sisè es referia als projectes científicotecnològics, on s’exposava la necessitat de la creació de nous departaments (8 al final del procés)
i de la inclusió de NANOQUIM com un servei general de l’Institut, etc.
Finalment, l’últim apartat sobre activitats de foment de la cultura científica i/o divulgació, proposava
el llançament d’una Newsletter periòdica sobre les activitats de l’Institut, i d’aquells temes més
importants en el món dels nous materials.
Una vegada presentat al CSIC, aquest pla estratègic va ser avaluat per un comitè recomanat per
la ESF (European Science Foundation) (rewiev Panel 14. Materials Science) presidit pel Prof. Herbert
Gleiter i format pel Prof. Orlando Auciello, la Prof. Gisela Schütz, el Prof. Georges Boulon, el Prof.
Erio Tossatti, el Prof. Stuart Hampshire i el Prof. Hans Eckhardt Hoenig.
Va ser presentat oralment a aquest comitè pel Prof. Carlos Miravitlles, director de l’Institut el dia
21 de setembre de 2005. La defensa del Pla i les respostes a les preguntes concretes del comitè
van ser respostes i discutides a part de pel propi Director, pels Profs. Xavier Obradors (Vicedirector),
Enric Canadell i Concepció Rovira.
Finalment, el Comitè va presentar el seu report final a la Presidència del CSIC. En ell, jutjava el
pla presentat per l’ICMAB com altament positiu. Per això, creiem que és just incloure en aquesta
memòria al menys un paràgraf d’aquest informe, on s’elogia i deixa ben clar que l’estratègia
seguida per l’ICMAB, és l’adequada.
The Panel was led to conclude that two kinds of research strategies exist presently in the CSIC
Institutes. The ICMAB focuses on relatively few lines of research that appear to be the most promising
ones. The decisions about these research lines are made by the director of the ICMAB, after consulting
with the scientists involved. In the ICMAB, the director is appointed by a foundation. The second kind
of research strategy seems to be realized in the ICMA, ICMM, ICMS and UFM. These four Institutes
work on a variety of research projects. The choice of these projects depends to a large extent on the
funding situation:
Projects that are approved for funding go ahead. The directors of the four CSIC Institutes are elected
by the Institutes’ scientists. In these Institutes, the directors have little influence on the Institutes’
research portfolios.
The Peer Review Panel supports the approach taken by the ICMAB. In that sense, it has worked out
a list of recommendations concerning the future research strategy of the CSIC Institutes. This list is
structured in the following three organizational levels.
El Comitè Científic, per tal d’avaluar les activitats dels diferents Instituts, va definir cinc paràmetres.
El primer va ser el pressupost obtingut per investigador, i d’aquest valor, l’import dels contractes
industrials. El segon paràmetre van ser els projectes de la Comunitat Europea en que va participar
cada institut, dividits entre el nombre d’investigadors corresponent. El tercer paràmetre van ser
les publicacions per investigador i any. El quart, el nombre de patents per investigador, i finalment
el cinquè paràmetre va ser el nombre de tesis doctorals dirigides per cada investigador.
Tots aquests valors es refereixen al període 2000-2004. Amb tot això, el Comitè va elaborar una
taula (taula III), en la que com es pot observar, excepte en recursos externs obtinguts per investigador,
l’ICMAB ocupa la primera posició en relació als altres instituts de ciència de materials del CSIC,
i en el cas de recursos externs ocupa la segona posició.
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Més tard, es va reunir el patronat de l’Institut el dia 7 de novembre de 2005, sota la presidència
del Prof. Carlos Martínez Alonso, president del CSIC, amb l’assistència del Prof. Ramón Coy Ill en
representació del Secretari d’Estat d’Universitats i Investigació, del rector de la Universitat de
Barcelona, del vicerector Prof. Jordi Marquet representant del Rector de la UAB, etc.
El Patronat, una vegada informat pel Director i a proposta del seu President i vist l’informe del
Comitè Científic, va aprovar el Pla Estratègic de l’Institut.
C. INAUGURACIÓ DE MATGAS
Una de les fites més destacades d’aquests dos anys va ser sens dubte, la inauguració dels
laboratoris de MATGAS AIE.
La inauguració es va estructurar en dos actes separats: una jornada de conferències que va tenir
lloc el 16 de juny de 2005, i l’acte protocol·lari pròpiament dit, que va tenir alhora dues parts,
l’acte acadèmic que es va celebrar en el rectorat de la UAB i una visita posterior als laboratoris
de MATGAS.
La jornada de conferències es va iniciar amb una conferència inaugural que va impartir el Prof.
Anthony Cheetam, director del Center for Materials Science de la Universitat de Califòrnia en Santa
Bàrbara, amb el títol de “Multifunctional and Hybrid Materials. New opportunities for science and
technology”. Posteriorment, es van realitzar quatre sessions sobre els temes següents: “European
Policy in Materials Science and Nanotechnology”, “Nanotechnology”, “Materials for Energy Storage”
i “Simulation and Modelling.” Cadascuna d’aquestes sessions estava formada per una conferència
i a continuació una taula rodona.
La primera sessió sobre política europea, a l’àrea de Ciència de Materials, va ser iniciada per una
conferència del Dr. Lorenzo Vallés, Head of the Materials Unit de la Comissió Europea, sobre
“Materials Science and Nanotechnology in the 6 Framework Program”. A continuació, ala taula
rodona van intervenir el Dr. Luis del Cerro del CIRIT, el Prof. Ramón Coy Ill del Ministeri d’Educació
i Ciència, el Sr. Joan LLibre Urpi de Carburos Metálicos, la Dra. Montserrat Torne del CSIC i finalment,
el Prof. Marcel Van der Voorde de la Universitat Tècnica de Delf. El chairman d’aquesta sessió va
ser el Prof. Jean Etourneau, coordinador de la xarxa FAME (NoE) i director de l’Institut de Materials
de Bordeus.
A la segona sessió sobre nanotecnologies el chairman va ser el Prof. Emilio Lora Tamayo,
UAB-CSIC. La conferència inaugural la va impartir el Prof. Helmut Dosch del Max Plank Institut fur
Metallforshung de Stuttgart, el seu títol va ser “Advanced Analysis in Nanospace: From Fonamental
Research to New Technologies”, a la taula rodona van intervenir el Dr. Frank Distefano de Air
Products, el Prof. Albert Figueres de l’ICMAB-CSIC, el Dr. Marcos Gómez de la companyia BASF, el
Prof. Josep Samitier de la UB i el Prof. Jaume Veciana de l’ICMAB-CSIC.
A la tercera sessió sobre “Materials for Energy Storage” va actuar de chairman el Dr. Guido
Peix de Air Products. La conferència va ser impartida pel prof. Bjorn Hauback del Institute for
Energy Technology de Noruega, el títol de la conferència va ser “Materials for Hydrogen Technology”.
A la taula rodona van participar, Antoni Julià de Gas Natural, Joan Ramón Morante de la UB,
Xavier Obradors de l’ICMAB-CSIC, Agustín Rodríguez del ICMSE-CSIC i Javier Rodríguez Viejo
de la UAB.
I finalment, a la quarta sessió sobre “Simulation and Modeling”, els chairmans van ser els Drs.
Carlos Valenzuela i Brian Petersson de Air-Produts. La conferència la va impartir també el Prof.
Cheetam sobre “Challenges for Simulation from Materials Science”. I a la taula rodona van participar
els Drs. Hanson Cheng de Air Products, Philippe Ghosez de la Université de Liège, Agustí Lledós
de la UAB, Pablo Ordejón de l’ICMAB-CSIC i Lourdes Vega de l’ICMAB-CSIC.
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L’acte acadèmic formal va tenir lloc també a la sala d’actes del rectorat de la UAB, sota la
presidència del Rector Prof. Lluís Ferrer; del President del CSIC, Prof. Carlos Martínez; el
Secretari General d’Indústria del Ministeri d’Indústria, Prof. Trullén; del Secretari General
d’Investigació del Ministeri d’Educació i Ciència, Prof. Barberà; del Director General de Recerca
de la Generalitat de Catalunya, Dr. Hernández i el president del Consell d’Administració de
MATGAS, Sr. Erwin Zwicky.
El director de MATGAS, el Dr. Javier Sánchez va fer una presentació del nou centre i, finalment, el
rector va tancar l’acte, que va continuar amb una visita als laboratoris de MATGAS i un refrigeri
en el propi edifici.
D. PUBLICACIONS
L’activitat investigadora de l’Institut es veu reflectida fonamentalment en les seves publicacions.
Així, a la taula IV es mostra un diagrama de barres amb el nombre d’articles publicats en revistes
incloses en el SCI des de la creació de l’Institut en 1987.
Es pot observar en aquesta taula, que la producció científica mostra aproximadament quatre
etapes. La primera des de 1987 fins 1989, en la que es van publicar menys de 50 articles
anuals; una segona etapa des de 1990 fins 1996, en la que es van publicar entre 60 i 100
articles anuals; una tercera etapa a partir de 1997 fins 2003, en la que se sobrepassen els
100 articles amb un màxim de 180 l’any 2002 . Finalment, una nova etapa en la que se
superen els 200 articles i que corresponen als anys 2004 i 2005, que són els corresponents
a aquesta memòria.
Aquest augment de publicacions es deu, fonamentalment, al progressiu augment de personal.
També l’augment constant i progressiu dels pressupostos fa que es mantingui aquest creixement
constant.
A la taula V es pot veure, també des de 1992, la relació entre l’augment de personal i el nombre
d’artcles publicats, i valorar la influència que en aquest procés té la relació entre el personal
permanent i el personal no permanent.
A més de la quantitat d’articles publicats, és necessari destacar l’índex d’impacte de les revistes
on es publica. Així, a la taula VI, s’han inclòs les revistes amb un índex d’impacte superior a 3,47
i el nombre d’articles publicats en aquestes revistes cada any des de 1997. El nombre mitjà
d’articles publicats per cada investigador de plantilla i any, és de 5 aproximadament.
Es pot veure, que el nombre d’articles publicats en les revistes d’índex més elevat de l’àrea de
ciència de materials, correspon a Angewante Chimie, a Advanced Materials, a Phys Rewiev Lett., a
JACS, etc. que mantenen aproximadament el mateix nombre d’articles cada any, excepte JACS,
que ha arribat a 8 articles en el 2005 i el Phys. Rewiew Letters també a 5 articles. Resumint, més
d’una tercera part dels articles publicats durant aquests dos anys ho han estat en revistes amb
un índex d’impacte superior a 3,47.
A la taula VII s’indiquen el nombre d’articles publicats classificats per matèries. Així, el major
nombre d’articles correspon a Materials Inorgànics i Organometàl·lics amb 65 articles, després,
a Materials Magnètics amb 35 articles. I el tercera matèria amb major nombre d’articles correspon
a Metodologies de Caracterització, Propietats Òptiques i Creixement de Cristalls amb 30 articles.
La distribució dels articles publicats per matèries, és en alguns casos subjectiva, però ens dóna
una idea general del pes que tenen cadascun d’aquests apartats. Com s’indica al principi d’aquest
capítol, es mantenen aquests apartats, que en alguns casos no són gaire definits, per a poder
tenir una continuïtat comparativa des de la creació del Institut.
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A la Taula VIII s’indica també el nombre d’articles publicats per grups i departaments. Com es pot
observar, existeix una important asimetria entre la producció científica dels diferents grups i
departaments, així com també una important variació anual. Al Pla Estratègic es proposa convertir
alguns grups en departaments, per tal de tenir una estructura administrativa de departaments
més propera a la realitat investigadora de l’Institut.
Fins aquí, en aquest apartat de publicacions, hem mostrat diferents taules i valors obtinguts
únicament mitjançant la comparació de dades del propi Institut, però, per tal de realitzar una
comparativa fiable amb d’altres centres i instituts del CSIC, hem pres les següents dades de la
monografia “Indicadores Bibliométricos de la Actividad Científica Espanyola” (1990-2004) publicada
per la FECYT.
Així, a la taula 32 “Instituciones Sector CSIC – Registro de Indicadores Básicos 2004” a la pàgina 198
(taula IX) es pot observa que al CSIC, els dos primers instituts en nombre de documents publicats,
són en primer lloc, l’ICMM i en segon lloc, el nostre institut, l’ICMAB. És evident que si aquests valors
és dividissin entre el nombre d’investigadors permanents, que és aproximadament la meitat en el
centre de Barcelona, la producció per investigador donaria un valor força més elevat a l’ICMAB.
A la mateixa taula s’inclouen també una altra sèrie de valors on potser el més destacat sigui el
% del total de publicacions dels instituts al global del CSIC, que en el nostre cas seria del 5,50 %.
És a dir, entre l’ICMM i l’ICMAB, han produït gaire bé el 13 % del nombre de documents del CSIC.
A la mateixa monografia, pàgina 249, al gràfic 230 “Relación Producción – Citación” (taula X) es
pot observar que l’ICMAB ocupa el sisè lloc per darrere del CNB, CIB, CIDES, IEMA, etc., en relació
als documents publicats i cites obtingudes
Així doncs, en relació amb els altres instituts del CSIC, a l’àrea de treball publicats, l’ICMAB ocupa
una posició molt rellevant: el segon en nombre d’articles publicats i el sisè en relació cites per
articles.
E. PATENTS
Entre 2004 i 2005 s’han realitzat 9 patents. La tendència observada en els últims anys és d’un
augment del nombre de patents, especialment, en aquells temes d’investigació que han arribat
a un grau de maduració suficient.
La majoria d’aquestes patents se centren en procediments d’obtenció de materials; una d’elles
correspon al desenvolupament d’un producte. Quatre de les patents s’han fet en col·laboració
amb empreses privades, sent aquestes empreses les titulars de les mateixes. S’ha desenvolupat
dues patents en col·laboració amb altres centres d’investigació, sent la titularitat compartida amb
aquests centres.
La classificació de les patents segons les línees d’investigació de l’ICMAB i segons als departaments
al que pertanyen els autors de les mateixes, es pot veure la taula XI.
L’experiència acumulada a l’ICMAB-CSIC pel que fa a la llicència de patents a empreses, ens diu
que no resulta senzill llicenciar patents de procediments. En la majoria de els casos és necessari
un desenvolupament posterior de la patent per a assolir el disseny d’un producte que pugui
interessar a les empreses en la mesura que tingui les condicions idònies per a entrar al mercat.
El finançament necessari per a aquesta etapa de desenvolupament no és fàcil d’aconseguir de
manera immediata: si es contracta amb una empresa per mitjà d’un projecte d’investigació, en la
majoria dels casos no es llicencia, i si s’arriba a un producte comercialitzable, les condicions
d’aquest contracte no solen ser favorables a la titularitat dels resultats per part del CSIC. Seria
molt convenient trobar algun mecanisme immediat amb recursos propis de l’Institut, per a poder
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finançar aquestes línies d’investigació pre-competitives i de desenvolupament per a que els instituts
puguin presentar les patents amb l’objectiu de llicenciar-les després en millors condicions
econòmiques.
F. PERSONAL
A la taula V es pot observar la variació del nombre de persones que treballen a l’ICMAB des
de 1992. El creixement del personal permanent de plantilla reflecteix un creixement sostingut,
moderat i continu des de l’any 1992. Per contra, el personal contractat, té un màxim l’any
2002. A partir d’aquest any, es produeix un apreciable descens del nombre de persones
contractades, tot i que els recursos econòmics hagin augmentat de forma considerable en
aquest període. Així doncs, en el període 2004-2005, l’augment de l’activitat en el nostre
institut ha estat absorbida pel personal existent, degut a la gran dificultat de contractar nou
personal per part del CSIC.
El problema es pot veure incrementat en els propers anys si no es prenen mesures al respecte.
Les dificultats administratives per a contractar personal procedent de països que no pertanyen a
la Unió Europea, és cada vegada més gran. Per una altra banda, les dificultats per a que els propis
instituts puguin becar als estudiants de doctorat amb els seus propis recursos, fan que el nombre
d’estudiants hagi disminuït significativament durant el 2004 i 2005.
Aquest fet pot provocar una important disminució en competitivitat a nivell internacional per part
dels grups del nostre institut. Tot això, si es combina amb els salaris baixos dels contractes i les
beques, significaria el final de les etapes que ens han conduit a ser competitius científicament
en l’àmbit internacional. En aquest apartat hauríem de tenir en compte també que aproximadament
un 25 % del personal que treballa actualment a l’ICMAB procedeixen de l’estranger.
També es pot observar que, tot i els esforços per a crear noves places de científics permanents,
la relació entre aquests i el personal no permanent, continua sent molt elevada.
Així doncs, no pensem que sigui eficient limitar i allargar els processos de contractació ja que els
resultats d’aquests dos últims anys ens indiquen una important pèrdua en el nombre d’estudiants
de doctorat i de postdoctorat que, després de tot, continua sent el recurs “clau” pel futur del
desenvolupament de la ciència a Espanya. A la taula V veiem clarament la disminució continuada
de personal no permanent des de l’any 2002.
Per una altra banda, la falta de personal tècnic adequat dedicat als servis comuns i als serveis
científico-tècnics, fa molt difícil mantenir operatives les estructures comunes de l’ICMAB, sobre
tot, tenint en compte que aproximadament un 35 % del personal no permanent canvia cada any.
A la taula XII s’inclouen amb detall des de l’any 2001, les altes de personal permanent a la plantilla
de l’ICMAB.
G. PRESSUPOSTOS
A la Taula XIII es pot veure l’evolució dels pressupostos de l’Institut a partir de 1994 en euros.
Com es pot veure, els pressupostos del 2004 i del 2005 han estat superiors al 2003, tot i que
pràcticament iguals entre sí. Des del 1994, s’observa un creixement sostingut del pressupost,
amb un màxim en 1997 i un altre en 2001 que corresponen als crèdits de construcció de la tercera
planta i a la remodelació de la Biblioteca i de l’edifici respectivament. Finalment, als anys 2004
i 2005, han augmentat considerablement fins a arribar a més de 9 milions d’euros incloent tots
els ingressos que passen per la caixa del CSIC i els salaris dels funcionaris.
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És interessant observar que el % del pressupost ordinari (figura VII), ha anat disminuint poc a poc,
ja que l’any 2002 era del 7 % del total, i s’ha arribat a un 4 % l’any 2004. Es fa imprescindible i
urgent augmentar considerablement aquest concepte pressupostari, ja que cobreix únicament una
part cada dia més petita de les despeses anuals atribuïbles a aquest concepte.
Actualment, la major part del overhead es dedica a cobrir les despeses ordinàries de l’Institut,
impedint d’aquesta forma que tingui una autonomia mínima per a iniciar o desenvolupar activitats
d’investigació, que en el futur puguin representar perspectives interessants; aquest fet ajuda a
disminuir la competitivitat dels instituts i a fraccionar els objectius científics ja que el propi Institut
no disposa ni dels recursos mínims per a realitzar una política de cohesió científica interna.
El % del pressupost dedicat a personal, es manté entre un mínim de 49 % en 2004 i un màxim
del 56 % en 2005, que són el mínim i el màxim dels últims 7 anys. Per tant, en termes generals,
aquesta proporció es manté i és significativament més baixa que el global del CSIC.
Com sempre, el % del pressupost corresponent a projectes finançats per la UE mostren un màxim
espectacular en 2004 d’un 23 % del pressupost total i d’un 11 % en 2005. Un fenomen similar,
però a una escala més petita, succeeix amb la CICYT, que varia entre un 10 % i un 18 %, depenent
com a la UE, de les diferents convocatòries. Per això, és molt important el fet de mantenir diferents
fonts de finançament, donada la seva variabilitat anual per tal de mantenir en valors totals una
certa continuïtat.
S’ha de destacar també que en “altres”, que són les aportacions econòmiques del CSIC, aplicades
teòricament de forma competitiva, hem passat del 7 % en 2004 al 2 % en 2005.
L’aportació en contractes industrials oscil·la al voltant del 5 % i el 6 % durant aquests dos últims
anys, encara que en 1999 havia arribat a ser del 14 %, és a dir, més del doble en proporció. Aquest
fet es troba directament relacionat amb la posada en funcionament de MATGAS AIE, donat que
els projectes de Carburos Metálicos, es desenvolupen a MATGAS, i també a una certa saturació
de treball i de projectes per part dels grups d’investigació consolidats.
En resum, podem dir que els ingressos de l’ICMAB durant els dos últims anys han estat elevats
i l’Institut es pot considerar com un dels més competitius del CSIC des d’aquest punt de vista.
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II
Highlights
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a. Scientific Highlights
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Staging in Superconducting Intercalates of Layered Nitrides
Intercalated zirconium and hafnium nitride halides have been reported to exhibit superconductivity
with high critical temperatures (up to 25 K) within non oxidic compounds. They show record Tc’s
for nitrides, only overcome by magnesium diboride and the doped fullerenes. Superconductivity in
ZrNX or HfNX is induced by intercalation of alkaline metals or Lewis bases as cobaltocene or
pyridine into the van der Waals gap. Staging during intercalation of layered compounds is a
phenomenon in which a unit consisting of a guest layer followed by n host layers (for a stage-n
compound) is repeated along the c axis. A new phase has been observed during the sodium
intercalation of hafnium nitride chloride as intermediate between the host β -HfNCl and the already
reported stage 1 phase Na0.29HfNCl with Tc of 24 K; the new intermediate shows interlayer spacings
ranging from 9.48 to 9.67 Å, corresponds to a second stage intercalate of HfNCl and is
superconducting with a critical temperature of 20 K. This is the first time that staging, a characteristic
feature of graphite and other layered structures, has been observed in this family of superconducting
compounds. The existence of more than one superconducting phase in this system, frequently
coexisting in the same sample, accounts for the wide superconducting transitions and the constant
critical temperature for wide range of doping concentrations observed in these intercalated
compounds.
Figure. Crystal structures of the host, β -HfNCl, and the stages 1 and 2 of superconducting NaxHfNCl.
Authors:
J. Oró-Solé, M.R. Palacín, C. Frontera, B. Martínez and A. Fuertes
References:
Chemical Communications, (2005), pp. 3352-3354
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Simultaneous Inductive Determination of Grain and
Intergrain Critical Current Densities of YBa2 Cu3O7- x
Coated Conductors
Coated conductors have emerged as a promising fabrication route of long-length, flexible superconducting
YBa2Cu3O7 tapes. Complex processing techniques based on replicating the texture of a buffered metallic
substrate into the superconducting layer have been developed accordingly. A coated conductor may
be then considered as a superconducting network of low-angle grain-boundaries through which a
percolative current flows, separating superconducting grains. Therefore, basically two mechanisms are
involved in the current transport of these systems: dissipation mechanisms associated to the grain
boundary network and the vortex physics associated with the intra-grain critical current density. Whereas
Abrikosov vortices are governing the vortex pinning properties of the grains, the physical mechanisms
giving rise to dissipation in the grain-boundary network are more complicated. The dissipation associated
with Abrikosov-Josephson vortices at the grain-boundaries, their properties and interaction with the
Abrikosov vortices is at present a topic of great interest.
In this article we have developed an inductive methodology based on dc-magnetometry that enables
the simultaneous determination of the grain and grain-boundary critical current densities of coated
conductors and therefore, allows us to analyze the relationship between the two dissipation
mechanisms in a systematic manner. This non-invasive method is based on the identification of
a clear peak in the reverse branch of the magnetization loop at a positive magnetic field, which is
interpreted by means of the magnetic flux trapped inside the grains returning through the grain
boundaries (see Figure 1). Minor hysteresis loop cycles reveal the evolution of this peak that
together with the quantitative evaluation of the return magnetic field at the grain boundaries using
critical state model calculations, have allowed us to quantify the grain critical current density.
Consequently, the developed formalism enables the determination of the grain and grain boundary
G
GB
critical current densities, Jc and Jc , of coated conductors simultaneously and is envisaged to sort
out granularity effects from vortex pinning effects on coated conductors.
Figure. Magnetic hysteresis loops at 50 K of () RABiTS-b for Hm=1000, 2000, and 5000 Oe and (쏻) IBAD-a for Hm=600, 1000, and 5000
Oe. Left inset shows a schematic drawing of the magnetic fields at a grain boundary. Right inset shows the M(H) curve at 5 K for Hm=5000
Oe for () RABiTS-b and (●
● ) YBCO thin film.
Authors:
A. Palau, T. Puig, X. Obradors, E. Pardo, C. Navau, A. Sanchez, A. Usoskin, H. C. Freyhardt, L.
Fernández, B. Holzapfel and R. Feenstra
References:
Applied Physics Letters, 84 (2), (2004), pp. 230-232
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57
SAFT Modeling of the Solubility of Gases in Perfluoroalkanes
Perfluoroalkanes are compounds with several industrial applications, given the particular behaviour
they present as compared to similar compounds. In particular, the high solubility oxygen in these
compounds makes them excellent candidates for artificial blood. However, these are complex fluids
from a thermodynamic point of view, and modelling the behaviour of mixtures of perfluoroalkanes
with different compounds remains a challenge. We presented here a molecular model within a
SAFT context for quantitatively predicting the solubility of xenon and oxygen in n -perfluoroalkanes.
All species were treated as Lennard-Jones chains formed by tangentially bonded spheres with the
same diameter and dispersive energy. Optimized meaningful values of both molecular parameters
for the pure perfluoroalkanes were used to accurately predict vapour-liquid and liquid-liquid equilibria
of n -alkane + n -perfluoroalkane mixtures. Because of the high nonideality of the mixtures, the
Lorentz-Berthelot cross-interaction parameters need to be adjusted using experimental data and
ensuring coherent trends. An accurate description of the solubility of oxygen required additional
information to be included in the model. On the basis of ab initio arguments, we considered
cross-association between oxygen and perfluoroalkane molecules, which allows solubilities to be
described with a deviation below 5%, when compared to experimental data available in the literature
and measured in our laboratory.
Figure. Solubility of oxygen in linear perfluoroalkanes at 1 atm. Symbols represent experimental data for n-perfluorohexane (circles),
n-perfluoroheptane (squares), n-perfluorooctane (diamonds), and n-perfluorononane (triangles) Lines correspond to the soft-SAFT EOS
with the cross-associating model.
Authors:
A.M.A. Dias, J.C. Pàmies, J.A.P. Coutinho, I.M. Marrucho and L.F. Vega
References:
Journal of Physical Chemistry B, 108, (2004), pp. 1450-1457
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The Ni-Mediated Cyclocarbonylation of Allyl Halides and
Alkynes Made Catalytic. Evidence Supporting the
Involvement of Pseudoradical NiI Species in the Mechanism
Among the different pentannullation methods, the metal mediated [2+2+1] carbonylative cycloadditions
represents the most straightforward way to the synthesis of the cyclopentane skeleton since three
C-C bonds are formed in a single experimental operation. Within this strategy fits the Pauson-Khand
reaction originally mediated by cobalt and later found to undergo in the presence of other metal
complexes. In a similar approach, it has been studied the scope, and the selectivity thereof arising,
of the cyclocarbonylation of allyl halides and acetylenes mediated by nickel.
This reaction could be turned into catalytic in nickel, which is finally removed and recycled. Thus,
the use of substantial amounts of the toxic nickel mediator could be avoided.
Figure. Carbonylative cycloaddition reaction catalized by Nickel.
After a careful study of the mechanism we proved that the reaction could be rationally redesigned in
such a way that the catalyst is able to perform at least 40 cycles with yields reaching up to 95 %.
Authors:
M.Ll. Nadal, J. Bosch, J.M. Vila, G. Klein, S. Ricart and J.M. Moretó
References:
Journal of the American Chemical Society, 127, (2005), pp. 10476-10477
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59
Supercritical Carbon Dioxide Anhydrous Method for the
Controlled Silanization of Inorganic Nanoparticles
Nanostructured hybrid systems, constituted by a nanometric inorganic phase homogeneously
dispersed in a continuous organic phase, are becoming increasingly important for a multitude of
applications, ranging from the development of lightweight structural materials to the advancement
in medical devices. Particles in the nanometric scale are very difficult to disperse in an organic
phase due to their tendency to agglomerate. Silanization is a well-known method for altering the
chemical and physical properties of solid hydrophilic surfaces, enhancing filler dispersion in organic
fluids, reducing agglomeration and promoting compatibility and bonding with organic matrices.
Deposition from an aqueous-alcohol solution is the most facile and common conventional method
for silanization. The applicability of an efficient solution coating method requires the inorganic
particles to be in a completely dispersed state. Hence, various approaches to functionalize
nanoparticles have encountered limited success.
In the search for more sustainable processes, supercritical carbon dioxide (SCCO2) technology,
has appeared as an innovative processing route for a broad range of materials. The low viscosity
and surface tension of SCCO2 allows he complete wetting of internal surface of agglomerates. This
paper reports an alternative and generic SCCO2 method to coat the surface of nanoparticulate
materials through the deposition of self-assembled silane monolayers. Nanometric powders of
hydroxyapatite (HA) and titanium dioxide (TiO2 ) were chosen to be coated. Both studied nanometric
fillers are hydrophilic and adsorb atmospheric moisture. The used organosilane was the
methacryloxypropyltrimethoxysilane (MPTMS). In wet conventional methods, high quality
self-assembled monolayers are not easily formed, mainly because of the difficulty in controlling
the amount of water in the medium. Alternatively, SCCO2 anhydrous silanization techniques can
be designed to be an effective method of achieving a desired degree of surface silanization with
monolayer coverage by controlling the processing time.
Figure. SEM micrographs of SCCO2 and conventionally (CV) coated products
Authors:
E. Loste, J. Fraile, M.A. Fanovich, G.F. Woerlee and C. Domingo
References:
Advanced Materials, 16 (8), (2004), pp. 739-744
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Carbon Extrusion in 1,2-Dicarba-closododecaboranes:
Regioselective Boron Substitution in Ten-Vertex
closo-Monocarbaborane Anions
Currently, anionic monocarbaboranes [1-closo-CB9H10]- and [1-closo-CB11H12]- and their derivatives
attract much attention because they are a peculiar class of inorganic anions which exhibit delocalized
charge, extraordinarily weak nucleophilicity and relative chemical inertness that have provided
excellent results in the stabilisation of complex cations, strong electrophiles and superacids. While
dicarba-closo-dodecarbaboranes, 1-R-2-R’-1,2-closo-C2B10H10, are the most investigated of polyhedral
boron-containing clusters closo-monocarbaboranes are much less examined probably because of
the absence of suitable protocols of synthesis.
[1-closo-CB9H10]- derivatives, [1-R-6-CH2R’-1-closo-CB9H8]-, are produced in a regioselective way from
the available 1-R-2-R’-1,2-closo-C2B10H10 in only two steps. First, the o-carborane derivative is reduced
to [7-R-µ-(9,10-HR’C)-7-nido-CB10H11]-, then a carbon extrusion followed by selective deboronation
takes place. One of the non-classical carbon atoms in the cluster is converted to a classical one
increasing the length of the initial substituent by a CH2.
Figure. Schematic representation of the carbon extrusion for regioselective synthesis of [1-R-6-CH2R’-1-closo-CB9H9]- from [1-R-2-R’-closoC2B10H10] species.
Authors:
F. Teixidor, A. Laromaine and C. Viñas
References:
Angewandte Chemie-International Edition, 44 (15), (2005), pp. 2220-2222
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61
A Molecular Multiproperty Switching Array Based on the
Redox Behavior of a Ferrocenyl Polychlorotriphenylmethyl
Radical
The preparation of molecular switches has attracted a great deal of attention in the last few years
owing to their potential use in the future as key nanoscale components for digital processing and
communication. Special interest exists in developing molecular switches showing an optical output
signal at the near-IR (NIR) region which is important for telecommunication purposes. Recently the
number of useful properties being simultaneously modulated on a bistable molecule-based material
has been extended to three properties (electrical, optical, and magnetic).
Herein we report a new multifunctional redox-switchable molecular array involving simultaneous
changes of three different outputs—the linear optical, nonlinear optical, and magnetic properties—
which is based on the rich electrochemical behavior of the new openshell donor–acceptor dyad.
The reduction of 1 into its diamagnetic anionic form 1- or the oxidation into the ferrocenium radical
derivative 1+, gives rise to three different redox states that show distinct physical properties.
Remarkable is the output signal at the NIR region shown by this electrochromic switching molecular
array.
Authors:
C. Sporer, I. Ratera, D. Ruiz-Molina, Y. Zhao, J. Vidal-Gancedo, K. Wurst, P. Jaitner, K. Clays, A.
Persoons, C. Rovira and J. Veciana
References:
Angewandte Chemie-International Edition, 43, (2004), pp. 5266-5268
62
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Phase Diagram of Silicon from Atomistic Simulations
Temperature-pressure phase diagrams charter the regions of stability of the different allotropes
of a material. The confection of phase diagrams has been a long-standing objective of experimental
physics, chemistry, and materials science. However, to date, the phase diagrams of most materials
remain relatively unknown beyond the domain of normal conditions, because of the technical
challenge of performing accurate phase behaviour studies in conditions of extreme temperatures
and/or pressures. Reliable first-principles electronic structure calculations have the potential to
be of great assistance in this problem, and indeed they have proved their value with impressive
demonstrations of their capabilities, such as the calculation of the melting curve of iron down to
the pressure regime of the Earth’s core, that of aluminium, or that of hydrogen in a similar range
of pressures. But such calculations, which either employ free energy evaluation techniques, like
thermodynamic integration, or directly address phase coexistence by explicitly simulating the
interface, are computationally demanding, and by no means routine. The two-phase method, in
particular, requires large simulation cells where the two phases can be monitored in coexistence,
and it is only directly applicable to solid-liquid equilibria. Nevertheless, in recent years several
simulation techniques have been developed which now make free energy calculations and phase
boundary determination much more accessible. In this work we demonstrate the potential of these
novel techniques by using them to obtain, entirely from atomistic simulations, the phase diagram
of Si in a wide range of temperatures and pressures.
Figure. Calculated silicon phase diagram covering the stability fields of four different phases, namely phase I (the diamond phase), phase
II (β -Sn), phase C (clathrate) and phase L (liquid). The continuous and dashed lines show the results from our simulations, the continuous
lines marking the separation between stable phases, while dashed lines are used when the coexisting phases are metastable. Uncertainty
bounds estimated at specific points of the phase diagram (marked by filled circles) are provided by the error bars. For comparison
purposes, a schematic experimental phase diagram is shown with doted lines, and experimental data at specific temperatures and
pressures is shown by means of empty symbols. The asterisk corresponds to the zero-pressure melting point of diamond silicon (phase
I), 1687 K; the circle is the zero-pressure melting temperature of the (metastable) clathrate phase (phase C), at 1473 K; the diamond
is the estimated location of the I-II-L triple point; likewise, the inverted triangle is the estimated triple point location between phases
I-C-L; left and right pointing triangles are different experimental determinations of the I-II coexistence line.
Authors:
M. Kaczmarski, O.N. Bedoya-Martínez and E.R. Hernández
References:
Physical Review Letters, 94, (2005), pp. 095701-1 - 095701-4
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63
Growth Mechanisms and Self-Organization of
Nanostructures in the Epitaxy of Functional Oxides
Today, thin films of most of the complex oxides can be grown epitaxially. However, its growth
mechanisms have been scarcely investigated and thus they are not well known. This is a serious
limitation towards exploiting its functional properties. Aiming to contribute to the understanding
of epitaxial growth of control oxides we have investigated in detail the growth mechanisms of some
relevant conducting and ferromagnetic oxides.
SrRuO3 is a conducting material widely used as electrode in all-oxide epitaxial heterostructures,
and thus the control of the surface morphology is a critical issue. We have investigated the epitaxial
growth of SrRuO3 on SrTiO3(001) by pulsed laser deposition, and we have found growth mode
transition in nanometric films. Roughening during the early growth stages provokes the formation
of arrays of finger-like nanostructures, and later morphology of terraces and steps develops in a
smoothing process. It is found that the surface of the substrate (terrace width and steps morphology)
critically influence the formed three-dimensional nanostructures (height and width) and the final
growth mode (layer-by-layer or step flow). By proper substrate selection (miscut angle and thermal
or chemical treatments), the nanostructures and the morphology can be controlled. Remarkably,
the control of the growth mode allows also controlling the film microstructure and in turns the
magnetic and transport properties.
CoCr2O4 and related spinels are of great interest in some spintronic devices since they are
ferromagnetic and insulating. Its growth is mainly conditioned by the high anisotropy of the surface
energy. We used this anisotropy to obtain self-organized pyramidal nanoobjects in films deposited
by sputtering. Now, we are combining similar nanostructures with ferroelectric oxides to fabricate
biferroic nanocomposites, an alternative route to the use of single materials.
Authors:
G. Herranz, U. Lüders, F. Sánchez, J. Fontcuberta
References:
Physical Review B, 70, (2004), pp. 045403-1 - 045403-6
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Supramolecular Self-Assembled Molecules as Organic
Directing Agent for Synthesis of Zeolites
Solid materials with uniform micropores, such as zeolites, can act as selective catalysts and
adsorbents for molecular mixtures by separating those molecules small enough to enter their pores
while leaving the larger molecules behind. Zeolite A is a microporous material with a high void
volume. Despite its widespread industrial use in, for example, molecular separations and in detergency
its capability as a petroleum-refining material is limited owing to its poor acid-catalytic activity and
hydrothermal stability, and its low hydrophobicity. These characteristics are ultimately a consequence
of the low framework Si/Al ratio (normally around one) and the resulting high cationic fraction within
the pores and cavities. Researchers have modi fied the properties of type-A zeolites by increasing
the Si/Al compositions up to a ratio of three. Here we describe the synthesis of zeolite A structures
exhibiting high Si/Al ratios up to infinity (pure silica). We synthesize these materials, named ITQ29, using a supramolecular organic structure-directing agent obtained by the self-assembly, through
p–p type interactions, of two identical organic cationic moieties. The highly hydrophobic pure-silica
zeolite A can be used for hydrocarbon separations that avoid oligomerization reactions, whereas
materials with high Si/Al ratios give excellent shape-selective cracking additives for increasing
propylene yield in fluid catalytic cracking operations. We have also extended the use of our
supramolecular structure-directing agents to the synthesis of a range of other zeolites.
Figure. Formation of the LTA structure from the supramolecular self-assembling of the OSDA molecules. See Supplementary Data. Atoms
are colour-coded as follows: dark blue, silicon; light blue, fluorine; yellow, oxygen; red, carbon; green: nitrogen; grey, hydrogen.
Authors:
A. Corma, F. Rey, J. Rius, M.J. Sabater, S. Valencia
References:
Nature, 431, (2004), 287-290
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65
Strain and Composition Profiles of Self-Assembled
Ge/Si(001) Islands
Epitaxial growth of Ge/Si (001) in the Stranski-Krastanow regime results in the formation of island
ensembles with various sizes and morphologies. During formation there is generally a strain-driven
Si diffusion into the Ge islands. We investigated this issue in an epilayer grown by molecular-beam
epitaxy containing pyramids, domes, and superdomes. A series of samples obtained by wet chemical
etching of the original layer for different times in diluted hydrogen peroxide was evaluated by atomic
force microscopy, spectroscopic ellipsometry, and Raman scattering. This multitechnique approach
allowed us to relate the values of average strain and composition with each obtained surface
morphology. Figure 1 shows AFM images of the as-grown layer and of samples etched for two
different times, as indicated. The evolution of island morphology upon etching unveils a distribution
of Si-rich cores of quite uniform size clearly observed in Fig. 1 (c). Figure 2 summarizes the results
obtained from the spectroscopic analyses: The average island composition as etching proceeds
becomes Si richer, changing from about Si0.2Ge0.8 to Si0.35Ge0.65, whereas the lattice strain increases,
in particular, the material at the island summits is essentially relaxed. The composition of the
wetting layer is nearly Si0.45Ge0.55. The results also reveal relatively Si-rich nuclei of a uniform size
of 100 nm for all domes and superdomes, in accordance with a dislocation-induced growth
mechanism of superdomes.
Figure 1. Topographic images by AFM of three of the studied samples. (a) As grown, (b) etched
for 4 min, and ( c) etched for 17 min. The image sides are parallel to the <110> directions. The
inset to (b) shows in detail the different morphologies indicating different Si distributions in a
spherical dome and in a pyramid. The encircled superdome in (c) clearly originated from a group
of four domes.
Figure 2. Average strain (a)
and composition (b) of the
near-surface material calculated
both from Raman and
ellipsometry results. For the
thinnest layer these techniques
differ as they are sensitive to
different sample regions: The
result of Raman corresponds to
the island cores, and the
ellipsometry to the wetting layer.
Authors:
M.I. Alonso, M. de la Calle, J.O. Ossó, M. Garriga and A.R. Goñi
References:
Journal of Applied Physics, 98, (2005), pp. 033530-1 - 033530-6
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b. Technologic Highlights
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II. HIGHLIGHTS / TECHNOLOGIC HIGHLIGHTS
69
Chemical Solution Deposition: A path towards Low Cost
Coated Conductors
Since the advent of high temperature superconductivity a very wide extended effort has been
carried out to develop high critical current conductors which may allow developing advanced power
systems and high field magnets and hence fully exploiting the technological potentiality of these
advanced materials. Coated conductors consist on a multilayered quasi-epitaxial structure of buffer
layers and superconducting coatings over metallic substrates and they have emerged as conductors
with a high potentiality for high temperature-high field applications.
Chemical Solution Deposition is considered to be one of the most promising approaches for
cost-effective production of the second-generation superconducting wires. The scientific and
technological issues associated with the development of a fabrication methodology for coated
conductors using a solution chemistry approach have been addressed and innovative solutions
have been found (see article and patents below).
Suitable “all chemical” epitaxial multilayers have been developed where the requirements of coated
conductors have been fulfilled, i.e. a fairly low lattice mismatch with the metallic substrate and with
the superconducting layer, a low chemical reactivity, a reduced oxygen and cationic diffusion to properly
protect the substrate from oxidation and the superconducting layer from metal contamination.
The growth process of YBa2Cu3O7 layers has been based on the use of Trifluoroacetate precursors, a
very reliable and promising methodology to reach high performances at low cost. Progress in understanding
the influence of processing conditions on microstructural film development has allowed to prepare
highly epitaxial film samples with low porosity and hence high critical current density.
The achievement of a reliable methodology for the preparation of such multilayer oxides paves the
way for the development of a fabrication process of coated conductors fully based on low-cost
solution chemistry.
Figure. Cross section TEM micrographs of a YBa2Cu3O7 film grown on a LaAlO3 single crystal by Chemical Solution Deposition using
Trifluoroacetate precursors: (a) low magnification wide view of the film, (b) detail of the interface of the YBCO film with the substrate
where the high quality of the interface can be appreciated.
Authors:
X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, S. Piñol, N. Mestres, O. Castaño, M. Coll, A.
Cavallaro, A. Palau, J. Gázquez, J.C. González, J. Gutiérrez, N. Romà, S. Ricart, J.M. Moretó, M.D.
Rossell and G. van Tendeloo
References:
Superconductor Science and Technology, 17, (2004), pp. 1055-1064
Patent 200500702-ES
Patent 200500749-ES
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Plastic Electronic Circuits
To overcome the technological limitations of single crystals of organic conductors, it is of great
interest the preparation of conducting bi-layer composite films (BL films) that consist of a polymeric
matrix with a conducting surface layer formed by a nanocrystalline network of organic conductors.
These electronic materials combine the unusual electronic properties of molecular metals (e.g.
metallic conductivity, superconductivity) together with the favourable properties of a polymeric
matrix (e.g. flexibility, transparency, low density). Furthermore, BL-films can be produced with
different sizes and shapes, which could be of technical interest.
The transport properties of the films are the same as in the single crystals being possible, by
choosing appropriately the donor and the halogen, the tuning of conductivity from semiconducting
to metallic behaviour and, even superconducting films have been achieved.
Interestingly, these films can be patterned by direct writing with a heat source, like a laser beam,
what permits to remove the halogen from the salt. In such a way, the treated areas are non
conducting and electronic circuits can be drawn.
Authors:
J. Veciana, C. Rovira, E. Laukhina, M. Mas-Torrent, V. Laukhin, C. Creely and D. Petrov
References:
Patent ES P200501879
Chemistry of Materials, 16, (2004), pp. 2471-2479
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71
Nanostructured Materials for Photovoltaic and Sensor
Applications
Nanostructured materials made of conducting organic polymers (e.g. MEH-PPV) and semiconductor
oxides (e.g. Nb2O5, TiO2, ZnO, CeO2) have been applied as hybrid solar cells. The multifunctionality
that characterizes these materials also permits their application as sensor devices. Thus, we are
able to control solar radiation dose or to detect the presence of oxygen under inert atmosphere
environments (see image). Some applications include the control of sunlight overexposure (for
humans, plants, etc), food packaging, inert atmosphere control in laboratory equipment, etc. Devices
can be tailored to suit specific requirements: can be flexible, portable and disposable by applying
blends of polymer/oxide nanoparticles; or rigid, permanent and reversible by the application of
nanostructured polymer/oxide bilayers. Low-cost large-area printing techniques have been applied
for their fabrication.
Figure. Schematic representation of the photovoltaic device made as thin films (a) or as blends of hybrid polymer/nanoparticles on
flexible substrates (b). Sensitivity to oxygen (c) or to specific wavelength range (d) allows its application as oxygen sensor or solar dosimeter
respectively.
Authors:
Monica Lira-Cantu and Frederik C. Krebs
References:
Portable Solar Dosimeter and Oxygen Sensor. British Patent GB20050009767. May 12, 2005.
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c. Reviews
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II. HIGHLIGHTS / REVIEWS
75
Chiral Induction
Chiral induction is an important and interesting phenomenon which has effects on materials across
the board of physical properties, because magnetic, optical and electronic characteristics can be
influenced by the stereochemical nature of the molecular components.
The control of the spatial arrangement of the functional units within the materials is aided greatly
in homochiral systems. To achieve this ordering, not only the molecular structure but also the use
of non-covalent interactions is absolutely critical, and the molecular-supramolecular balance has
to be strictly controlled.
The way in which chirality can be induced is reviewed in this paper. The control of helical arrangements
in liquid crystalline systems, in which both chiral induction and spontaneous resolution are important
phenomena which can be controlled, is highlighted.
Authors:
D.B. Amabilino and J. Veciana
References:
Encyclopedia of Supramolecular Chemistry, Marcel Dekker Inc., J. Atwood and J. Steed eds., New
York (U.S.A.), (2004), pp. 245-252
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Electronic Structure of Solids
Solids are just infinite molecules. Thus, at least in principle, there is no reason why their electronic
structures could not be studied using the same techniques and concepts currently used for
molecules. However this is only partially true. In this chapter the elementary jargon of the modern
approach to the electronic structure of solids is introduced in a way which underlines the strong
links between the electronic structure of molecules and solids. In understanding the physical
properties of complex materials it is essential to have a few guidelines by which to single out the
parts of their crystal structure and chemical bonding essential for the description of their electronic
structure. Thus, in this review special emphasis is made on approaches allowing tracing back the
correlation between the details of the electronic and crystal structures of materials.
Authors:
E. Canadell
References:
“Electronic Structure of Solids” in Encyclopedia of Inorganic Chemistry, 2nd Edition, R. B. King, Ed.,
J. Wiley and Sons, vol III, (2005), pp. 1480-1506
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77
Bis(ethylenethio)tetrathiafulvalene (BET-TTF) and Related
Dissymmetrical Electron Donors. From the Molecule to
Functional Molecular Materials and Devices (OFETs)
In the search for functional molecular materials with a specific physical property, the election of
the suitable building block having adequate electronic, functional and structural characteristics is
critical to achieve the appropriate supramolecular organization giving rise to the desired property.
TTF derivatives are versatile building blocks to form supramolecular aggregates in the solid state
with interesting conducting and also magnetic properties. Those properties are associated with
specific interactions between molecules having one or more unpaired electrons and the control of
the intermolecular interactions permits modification of the bulk properties of the material
In the review we present a complete analysis of the electronic and supramolecular characteristics
of a family of TTF donors with five membered rings substituents containing sulfur. The structural
aspects leading to the particular supramolecular organizations in the solid state is discussed and
their relationship with the specific electronic and magnetic properties of different derived materials
exposed. It is followed the way to create the material from the molecule and how the material can
be used to prepare devices, particularly field effect transistors.
Authors:
C. Rovira
References:
Chemical Reviews, 104, (2004), pp. 5289-5317
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III
Description of the
ICMAB
80
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III. DESCRIPTION OF THE ICMAB
Foundation Board
Mr. Carlos Martínez Alonso
Presidente del Consejo Superior de Investigaciones Científicas (CSIC)
Mr. Ramón Coy Yll
Representante del Ministerio de Educación y Ciencia
Mr. Crisanto de las Heras Sanz Representante del Ministerio de Industria, Turismo y Comercio
Mr. Mario Rubiralta Alcañiz
Rector Magnífic de la Universitat de Barcelona
Mr. Lluís Ferrer Caubet
Rector Magnífic de la Universitat Autònoma de Barcelona
Representante de la Comisión Interministerial de Ciencia y Tecnología
Mr. Javier Sánchez Molino
Representante de la Sociedad Española de Carburos Metálicos, S.A.
Mrs. Montserrat Torné
Escasany
Vicepresidente de Organización y Relaciones Institucionales del CSIC
Mr. Carlos Miravitlles Torras
Director de l’Institut de Ciència de Materials de Barcelona (ICMAB-CSIC)
Mrs. Mª Trinidad Palomera
Laforga
Secretaria de la Foundation Board (ICMAB-CSIC)
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ORGANIZATION CHART OF THE ICMAB
81
82
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The ICMAB team
Technical and Administrative Staff, Scientist and Ph.D. Students. From botton to top and from left
to right:
David B. Amabilino, Montserrat Codorniu, Eduardo R. Hernández, Amparo Fuertes, Nieves Casañ,
Carles Miravitlles, Trinidad Palomera, Tónia Hernández, Alejandro R. Goñi, Pedro Gómez, David A.
Drabold, Pablo Ordejón, Enric Canadell, José Giner, Rosario Núñez, Clara Viñas, David Muñoz, Corina
Tabacaru, Judith Oró, Judit Galcerà, Jaume Gázquez, Montserrat Salas, Patricia Álvarez, María
Rivera, Maria Muntó, Imma Ratera, David Hrabovsky, Ana Maria Bea, Montserrat Casas, Mónia
Burriel, Cecilia Solís, Carmen Mihoc, Laia Crespo, Albert Vaca, Jaume Capell, Maria Rosa Palacín,
Jordi Fraxedas, Xavier Torrelles, Xavier Granados, Anna Llordés, Josep Santiso, Gemma García,
Arantzazú González, Alejandro Santos, Rebeca Herrera, Vega Lloveras, Llibertat Abad, Elisa Elizondo,
Cesar Díez, Elies Molins, Daniel del Moral, Guillaume Sauthier, Emilio Juárez, Josep Puigmartí,
Mary Cano, Carlos A. García, Núria Crivillers, Patrizia Iavicoli, Florencio Sánchez, Mariona Coll,
Bernat Bozzo, Patricia Abellán, Cesar Moreno, Ingrid Cañero, Eniko Gyorgy, Anna María Banet, Ángel
Pérez, Susagna Ricart, Joan Esquius, Mariona Vázquez, Carme Gimeno, Amable Bernabé, Pietat
Sierra, José Antonio Gómez, Nadia El Grouh, Conchi Domingo, Jesús Canales, José Manuel Pérez,
Josep Fontcuberta, Emi Evangelio, Carles Corbella, Katerina Zalamova, Joan Figuerola, Ana Belén
Jorge, Maria Isabel Alonso, Miquel Garriga, Josep Oriol Ossó, Xavier Martí, Joana Martínez, Franco
Rigato, Elena Taboada, Lluís Casas, Ana Esther Carrillo, Neus Romà, Elena López, Adam McGlone,
Inhar Imaz, Neil Oxtoby, Frédéric Lerouge, Josep Roig, Vicente Vives, Sebastián Reparaz, Manuel
Cobian, Roberto Luccas, Paul Lacharmoise, Carmelo Herdes, Raul Solanas, Mónica Benito, Félix
Llovell, Aurelio Olivet, Jorge López, Frederico Dutilh, Cristian Matei, Daniela Berger, Benjamín
Martínez.
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83
Scientific Staff
Director
Prof. Carlos Miravitlles Torras
Vice-Directors
Prof Jaume Casabó Gispert
Prof. Xavier Obradors Berenguer
Administration
and Secretary
Mrs. M.ª Trinidad Palomera Laforga
Scientific Staff
Dr. Mª Isabel Alonso Carmona
Dr. David B. Amabilino
Dr. Lluís Balcells Argemí
Prof. Enric Canadell Casanova
Dr. Nieves Casañ Pastor
Dr. Concepció Domingo Pascual
Dr. Mª Lourdes Fábrega Sánchez
Prof. Albert Figueras Dagà
Prof. Josep Fontcuberta Griñó
Dr. Jordi Fraxedas Calduch
Dr. Amparo Fuertes Miquel
Dr. José Luís García Muñoz
Dr. Miquel Garriga Bacardí
Dr. Pedro Gómez Romero
Dr. Eduardo R. Hernández
Prof. Benjamín Martínez Perea
Dr. Narcís Mestres Andreu
Prof. Elies Molins Grau
Prof. Josep Mª Moretó Canela
Prof. Juan Murcia Vela (1)
Dr. Mª Rosario Núñez Aguilera
Prof. Pablo Jesús Ordejón Rontomé
Dr. Mª Rosa Palacín Peiró
Dr. Salvador Piñol Vidal
Dr. Mª Teresa Puig Molina
Dr. Susagna Ricart Miró
Prof. Jordi Rius Palleiro
Dr. Anna Roig Serra
Prof. Concepció Rovira Angulo
Dr. Daniel Ruiz Molina
Dr. Felip Sandiumenge Ortiz
Dr. José Santiso López
Prof. Francesc Teixidor Bombardó
Dr. Xavier Torrelles Albareda
Prof. Jaume Veciana Miró
Dr. María Lourdes Vega Fernández
Dr. José Vidal Gancedo
Dr. Clara Viñas Teixidor
(1) Is not included in any Department, he is attached to the Direction
84
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Management, Administration, General Services and others
1. Management
Prof. Carlos Miravitlles
Mrs. Montserrat Salas
Director
Executive Assistant
Prof. Jaume Casabó
Prof. Xavier Obradors
Mrs. Mariona Vázquez
Vice-director
Vice-director
Executive Assistant
Mrs. Mª Trinidad Palomera
Mr. Vicente Vives
Administrative Head
Paymaster
Mrs. Montserrat Codorniu
Mrs. Nuria Gómez
Mrs. Rebeca Herrera
Mrs. María Rivera
Mrs. Pietat Sierra
Administrative Assistant
3. Maintenance and
workshop
Mr. Antoni Pons
Mr. Josep Roig
Mr. José Manuel Rodríguez
Mr. Oriol Sabater
Senior Technician
Maintenance Officer
Maintenance Officer
Maintenance Officer
4. Computing center
Mr. Joan Figuerola
Mr. Juan Carlos Delgado
Mr. Javier Rubio
Mr. Juan Ignacio Toledo
Mr. José Antonio Gómez
Mr. Albert Moreno
Senior Engineer
Systems Programmer
Systems Programmer
Systems Programmer
Senior Engineer
5. Library,
documentation
and information
Mrs. Tonia Hernández
Mr. Alejandro Santos
Senior Engineer
6. Technology transfer
Unit
Mrs. Susana Garelik
Senior Engineer
7. Personnel in
MATGAS AIE
Mr. Raul Solanas
Mr. Josep Oriol Ossó
Mr. Jaume Capell
Senior Engineer
Senior Engineer
Senior Engineer
2. Administration
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Scientific-Technical Service Unit
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1. Introduction
ThThe Scientific-Technical Service Unit at the Institute is an operational combination of both
equipment and technical support staff. The unit was set up due to the need to both operate the
equipment and to facilitate access of the research groups in order to optimize its use.
The Scientific-Technical Service Unit was set up during 2004 with the equipment that had been
previously acquired by the research groups. The Unit was needed to coordinate the use of the
equipment by other groups.
The Unit directly depends on ICMAB Management and it consists of seven laboratories. Each
laboratory has a Head Scientist and it is coordinated by a user’s committee on which the researchers
from the different departments are represented.
The committees, together with the Unit Head, propose working regulations and access to the
equipment by internal or external users, always bearing in mind the availability of specialized
technicians.
2. Laboratories in the Unit
The services within the Unit are the following:
• Scanning Electron Microscope Laboratory.
• X-Ray Diffraction Laboratory.
• Low-Temperature and Magnetometry Department.
• Thermal analysis Laboratory
• Molecular Beam Epitaxy Laboratory MBE
• Spectroscopy Laboratory
• Atomic Force Microscope Laboratory
2.1. Scanning Electron Microscope Laboratory.
2.1.1. Presentation
th
The scanning electron microscope laboratory came into operation on 6 May 2004 as a result of
the restructuring process between the CID and ICMAB. It is the first equipment of these characteristics
that the Institute acquired and it covered an important deficit in the field of materials characterization.
2.1.2. Equipment
The laboratory equipment is the responsibility of a Head scientist and the support technicians.
The following table provides a summary of the equipment available.
Equipment
Head Scientist
Technicians
Scanning Electron Microscope Dr.Felip Sandiumenge
Mrs. Judith Oró
Mrs. Anna Esther Carrillo
Image Analysis Systems
Mrs. Judith Oró
Dr. Felip Sandiumenge
The support technicians carry out prior training of the users and advise them about possible
problems.
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2.1.3. Organisation
The service is coordinated by the following user’s committee.
Dr. Felip Sandiumenge (President)
Magnetic and superconducting materials
Dr. Lluis Balcells
Dr. Anna Roig
Crystallography and Solid State Chemistry
Dr. Josep Santiso
Electronic Materials and Crystal growth
Figure. View of the SEM 515 with two users
2.2. X-Ray Diffraction Laboratory
2.2.1. Presentation:
The aim of the X-Ray Diffraction Service is to meet internal demands for this subject from the
different departments and groups at the Institute. It is also available to external users. At present
two technicians are responsible for the service.
The function of the service is to obtain and interpret crystalline powder X-ray diffraction diagrams
under different conditions, mainly, flat sample and Bragg-Brentano geometry, thin film diffraction,
rocking curves, high- and low-temperature (-150 a 400 ºC) diagrams, texture determination on
layers, microdiffraction and qualitative analysis in capillary materials.
2.2.2. Equipment
The laboratory equipment is the responsibility of a Head Scientist and two technicians. The following
table provides a summary of the equipment available.
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Equipment
Head Scientist
Technicians
Rigaku Powder Diffractometer
Dr. Jordi Rius
Mr. Joan Esquius,
Mr. Xavier Campos
Siemens D5000 Powder
Diffractometer
Dr. Jordi Rius
Mr. Joan Esquius,
Mr. Xavier Campos
Bruker D8 Advance
Diffractometer
Dr. Jordi Rius
Mrs. Nancy Ayala
2.2.3. Organisation
The service is coordinated by the following user’s committee:
Dr. Jordi Rius (President)
Dr. Josep Fontcuberta
Dr. Amparo Fuertes
Dr. Carles Frontera
Figure. View of the new powder diffractometer with 2D-detector for texture analysis and microdiffraction
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2.3. Low-temperature and Magnetometry Laboratory
2.3.1. Presentation
The Low-temperature Laboratory has equipment for magnetic characterisation and electrical
transport at low temperatures.
2.3.2. Equipment
The laboratory equipment is the responsibility of a Head Scientist and a technician. The following
Equipment
Head Scientist
Technician
SQUID 5T Magnetometer
Dr. Benjamín Martínez
Mr. José Manuel Pérez
SQUID 7T Magnetometer
9T multiuse, PPMS Cryostat
Cryogenerator
2.3.3. Organisation
The service is coordinated by the following user’s committee:
Dr. Xavier Obradors (President)
Dr. Teresa Puig
Dr. Anna Roig
Dr. Concepció Rovira
Molecular Nanoscience and organic materials
Scientific Services
Figure. View of the Quantum Design SQUID Magnetometer. The equipment offers a complete set of options, such as RSO, continuous
temperature control and ac magnetometry with a 7 T magnet for the study of magnetic properties of materials.
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2.4. Thermal Analysis Laboratory
2.4.1. Presentation
The ATG and ATD Athermal Analysis Services have a self-service character and are supervised by
Judith Oró Solé and a Head Scientist, Amparo Fuertes. The equipment works between room
o
o
temperature and maximum temperatures of 1000 C for ATG equipment and 1500 C, for ATD
equipment, respectively. The equipment can work with different gases, at atmospheric pressure
and with flows of 70cm3/minute. The ATG equipment is very much in demand and its availability
is normally saturated. This service is both used by ICMAB users and external ones, usually industry,
although it has been sometimes used by UAB staff. All of the ICMAB user groups use this equipment.
2.4.2. Equipment
The laboratory equipment is the responsibility of a Head Scientist and a technician. The following
2.4.3. Organisation
Equipment
Head Scientist
ATG-ATD
Dr. Amparo Fuertes
DSC
Technician
Mrs. Judith Oró Solé
Mrs. Ana María Bea Sanz
Mrs. Judith Oró Solé
Mrs. Ana María Bea Sanz
The service is coordinated by a committee, which is summarized in the following table, and is
responsible for establishing criteria of usage as well as taking the necessary decisions for the
optimum running of the service.
Dr. Concepció Rovira (President)
Dr. Amparo Fuertes
Figure. Thermogravimetric Analysis System
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2.5. Molecular Beam Epitaxy Laboratory
2.5.1. Presentation
The Molecular Beam Epitaxy Laboratory (L-MBE) is a scientific service that carries out its own
research and provides research support to other groups working on Group IV semiconductor
heterostructures. The service is coordinated by Dr. Isabel Alonso and it is run by a user’s committee.
2.5.2. Equipment
The laboratory has a Head Scientist and a technician. The following table summarises the equipment:
Equipment
Head Scientist
Molecular beam epitaxy equipment Dr. Maria Isabel Alonso
sources:
Electron-beam evaporator for Si.
High temperature effusion cell for Ge.
Carbon sublimation source with a
pyrolytic graphite filament.
High temperature effusion cell for B.
Low temperature effusion cell for Sb.
GaP decomposition cell for P2.
Technician
Mr. Josep Oriol Ossó Torné
2.5.3. Organisation
The service is coordinated by a committee, summarized in the following table, and is responsible
for establishing criteria of usage as well as taking the necessary decisions for the optimum operation
of the service.
Dr. Jordi Pascual (President)
UAB Physics Department
Dr. Jordi Fraxedas
Dr. Francesc Pérez-Murano
IMB-CNM
Dr. Maria Isabel Alonso
Figure. View of the laboratory where semiconductor structures based on Si, Ge and C are grown by Molecular-Beam Epitaxy (MBE) on 10
cm wafers, including films and nanostructures such as quantum dots, wells and superlattices. Shown here is the ultra-high vacuum
system (Omicron) composed of fast-entry-lock chamber (behind) and main chamber (front) for MBE deposition.
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2.6. Spectroscopy Laboratory
2.6.1. Presentation
The service has a set of scientific instruments that were previously the responsibility of specific
groups at the Institute and that now are available to either users from the Institute or from
outside.
The aim of the service is to obtain the maximum performance possible from each set of equipment.
The service is considered to be of use for all of the groups.
2.6.2. Equipment
The instruments of this service are the responsibility of a Head Scientist and a technician. The
equipment is maintained by two technicians: Sra. Ana Fernández Espín, who is in charge of the
NMR spectroscopic system, and Mr. José Amable Bernabé Mateos, who is in charge of the other
items. The following table summarises the equipment:
Equipment
Head Scientist
IR Spectrometer
Dr. David B. Amabilinio
IR Spectrometer
Dr. Francesc Teixidor
UV-Vis. Spectrometer
MALDI-TOF Spectrometer
Dr. David B. Amabilinio
NMR Spectrometer
Dr. Clara Viñas
EPR Spectrometer
Dr. Josep Vidal
Raman Spectrometer
Dr. Jordi Pascual, Dr. Narcís Mestres
2.6.3. Organisation
The service is coordinated by a committee, summarized in the following table, and is responsible
for establishing criteria of usage as well as taking the necessary decisions for the optimum operation
of the service.
Dr. Susana Ricart (President)
Molecular and Supramolecular Materials
Dr. Clara Viñas
Molecular and Supramolecular Materials
Dr. Narcís Mestres
Dr. David B. Amabilino
Dr. José Vidal
Figure. View of the Nuclear Magnetic Resonance Laboratory
Figure. View of the Electron Paramagnetic Resonance Laboratory
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2.7. Atomic Force Microscopy Laboratory
2.7.1. Presentation
The AFM service is a general scientific service at the ICMAB aimed at the surface characterization
of materials at a micro and nanometric scale. The service is available both to all of the researchers
at the ICMAB and external users. The service is managed by a user’s committee presided by Xavier
Obradors. The secretary is Ángel Pérez del Pino.
2.7.2. Equipment
The laboratory equipment is supervised by a technician, Ángel Pérez del Pino. The following table
summarises the equipment:
Equipment
Head Scientist
Atomic Force Microscope
Dr. Àngel Pérez del Pino
Atomic Force Profilometer
Dr. Àngel Pérez del Pino
2.7.3. Organisation
The service is coordinated by a user’s committee, summarized in the following table:
Dr. Xavier Obradors (President)
Dr. Jaime Veciana
Dr. Elías Molins
Dr. Teresa Puig
Dr. Ángel Pérez
Technical Services
Figure. Image of the PicoSPM atomic force microscope from Molecular Imaging
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Scientific Departments and Groups
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INORGANIC MATERIALS AND CATALYSIS GROUP
Molecular and Supramolecular Materials Department
Head of the Department: Prof. Enric Canadell
1. Inorganic materials and catalysis group
Personnel
Equipment
Prof. Francesc Teixidor
Dr. Clara Viñas
Dr. Rosario Núñez
Mr. Jordi Cortés
Research Professor
Research Scientist
Tenured Scientist
Research Assistant
Dr. José Giner
Dr. Iulia David
Dr. Frederic Lerouge
Mrs. Anna Fernández
Dr. Vasile David
Dr. Olexander Guzyr
Dr. Cristian Matei
Dr. Dana Berger
Contracted Researcher
Contracted Technician
Sabbatical
Sabbatical
Sabbatical
Sabbatical
Mrs. Arantzazu González
Mr. Alberto Vaca
Mrs. Laia Crespo
Mrs. Ana Virginia Sánchez
Mr. Pau Farràs
Mr. Joan Ignasi Llambias
Mrs. Milagros Rey
Mr. Emilio J. Juárez
Mrs. Ariadna Pepiol
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
* High dilution set-up. Perfusor Secura de B. Braun Mehringer Ah. (minimum 0,1 ml/h).
* High pressure reactor Berghof HR 100. Equiped with temperaute sensor, pressure gauge and
o
rupture disk. Admitted working: Pressure 100 bar, temperature 250 C.
o
* 2 Home made high pressure reactors operating at 60 atm. and up to 200 C.
* High pressure reactor “Parr instrument company” operating at 40 Bars.
* Fourier Transform Infrared Spectrometer Shimadzu FTIR-8300. Equiped with specular reflectance.
* Gas chromatography Shimadzu GC-15A. A with a flame-ionization (FID) detectors and several GC
Supelco columns.
* Gas chromatography Shimadzu GC-15A. A with a thermal conductivity detector (TCD) and several
GC Supelco columns.
* Automatic potentiometer with capacity for seven electrodes (Sirtek). Equiped with pHmeter Crison
(model micropH 2000).
* Electrochemical source Amel (model 549-Potentiostat/Galvanostat).
* Potentiostat/Galvanostat «EG-G Princeton Applied Research (model 273A).
* Potenciostat / Galvanostat model PGZ301 “VoltaLab”.
* – Conductimeter Crison (basic 30).
* – RK Control Coater Model 201-202 con aplicador micrométrico de 200 mm.
* HPLC Hewlett Packart G-1311A Serie 1100 with a UV detector.
* Ultraviolet-Visible Spectrophotometer “Shimadzu” model UV-1700 pharmasec.
* Sonicador “Sonics” model vibra-cell.
* Ultrasonic laboratory device “Branson” model 2510
* Rotavapour & water bath “Büchi” B-490
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* Centrifuge “Hettich” EBA21.
* pH-meter micropH2000 “Crison”.
* – pH meter Digilab 517 digital from Crison.
* – Home made cylindrical vacuum furnace.
* – Cyclic Voltamperometry Equipment Radiometer-VL80.
Research Progress
The laboratory began in 1987 under the direction of Francesc Teixidor. The incorporation of Clara
Viñas in 1991 and Rosario Núñez in 2001 completed the present composition of the staff members.
From their constitution the group has formed 24 doctors, has counted with 15 post-doctoral/sabbatical
fellowships and has received investigators for short stays. With many of these there are current
research projects going on. The group’s research has been enlightened by Anales de Química,
2005,101,78; Chemical & Engineering News: C&EN/January 10,2005,83(2),34; C&EN/July 11,
2005,83(28),27. It is to emphasize the publication of chapter 40, Vol. 6,»Carboranes and
Metallacarboranes” of the new Encyclopedia Science of Synthesis, Georg Thieme Verlag, StuttgartNY, 2005.
Advances in Boron Chemistry
I)
A new regioselective way to synthesize [1-R-6-CH2R’-1-CB9H8]- derivatives from the available 1-R2-R’-1,2-C2B10H10 in only two steps has been achieved. The o-carborane derivative is reduced to
[7-R-µ-(9,10-HR’C)-7-CB10H11]-, then a carbon extrusion followed by selective deboronation takes
place. One of the non-classical carbon atoms in the cluster is converted to a classical one
increasing the length of the initial substituent by a CH2. The reported method opens a new way
for materials application.
Figure 1. Molecular structure of permethylated-o-carborane.
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99
II)
New evidence confirms the long-held suspicion that methyl groups attached to boron atoms in
C2B10H12 compounds exert an electron-withdrawing effect, rather than the electron-donating effect
commonly associated with methyl substituents. The researchers group found that positive charge
builds up on the carborane cage as the number of methyl groups increases, eventually preventing
full methylation of the carborane. Understanding these unusual electronic interactions should
help chemists to better adapt carboranes as ligands and as noncoordinating anions.
III) Modulation of a C-C distance: Neutral and especially dianionic closo o-carboranes with different
substituents on the C cluster atoms, exhibit extremely large variations (over 1 Å!) of the C-C
distances, from 1.626 to 2.638 Å. These C-C lengths, among the longest ever reported, depend
strongly on the substituents. While 1,2-(NH2)2-1,2-C2B10H10 has the longest C-C distance in neutral
species (1.860 Å), C-C distances can be much larger in the corresponding dianions (from 1.823
Å to 2.638 Å for 1,2-R-2-1,2-C2B10H10). Remarkably, there is continuity over the entire range of CC lengths.
Extraction of radionuclides from nuclear wastes as part of the partitioning process based on
metallacarboranes.
Compounds were synthesized also with the aim to develop a new class of more efficient extraction
agents for liquid-liquid extraction of polyvalent cations, i.e. lanthanides and actinides from
high-level activity nuclear waste. Additionally, a new series of the carbon substituted
cobaltabisdicarbollide anion derivatives of the general formulae [1,1’-(PR2)2-3,3’-Co(1,2-C2B9H10)2]has been synthesized in one pot reaction from [3,3’-Co(1,2-C2B9H11)2]- in very good yield and with
an easy isolation process. We consider these ligands to work as hinges, with the important property
of being adjustable to any metal distance demand. These derivatives bring the novelty of being an
intrinsically coloured negative ligand, which apports interesting new possibilities for enhanced
coordination and for optional metal site vacancies that otherwise would be fulfilled by a possible
anionic monodentate ligand. Ligands [1,1’-(PR2)2-3,3’-Co(1,2-C2B9H10)2]- should be separable into
its enantiomers and therefore offers the possibility to study intrinsically anionic enantiomerically
pure diphosphine ligands in catalysis. Finally, their easy synthesis opens the opportunity to use
carborane derivatives as real alternatives to conventional organic ligands.
Conducting organic polymers
In this period efforts have been addressed to study the influence of weakly coordinating anions
with different shapes and substituents on the overoxidation resistance limit of the material, ORL.
2
The anions utilized are derivatives of [Co(C2B9H11)2]-, [B12H12] - and [B12H11NH3]-. The following tendencies
have been established: I) boron cluster monoanions are to date the anions that offer the highest
stability to overoxidation of PPy doped materials, II) the ORL stability of the material can not be
attributed only to the shape of the cluster, III) monoanionic clusters are far superior than dianionic
to get an ORL rise IV) globular, rigid and large monoanions are less suitable for enhanced ORL
values than elongated and non-rigid species. The high boron content in these materials has permitted
to learn on the fate of the doping anions during the overoxidation process. There is a built-up of
the concentration of the doping anion in the electrolyte near surface area, whereas, a depletion is
observed in the nearest inner layers.
Figure 2.
SEM image of polypyrrole
polymer doped with [Co(C2B9H11)2]-
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Nanotechnology
I)
Development of optically or electroactive molecular materials for solar energy harvesting and
molecular machines.
5
Novel un-bridged metallacarboranes sandwich such as derivatives of [3-Co(␩ -NC4H4)-1,2-R2C2B9H9], or [3,3’-M(8-SMe2-1,2-C2B9H10)2], (M= Ni, Co and Fe) have been prepared. Theoretical
calculations in combination with Dynanic NMR have been used to study the energy minima of
the different rotamers that have shown energy barriers in the range 5.2 and 11.5 kcal mol-1.
II) Dendrimers:
Figure 3. Cristal structure of a carborane-containing carbosilane dendrimer
Our interest aims at the functionalization of dendrimers with carborane clusters. Two families
of carborane-containing carbosilane dendrimers have been synthesized, in which the cluster
C2B10H11 is introduced on the carbosilane periphery. Two different methods have been used for
their preparation: a) the nucleophilic substitution of peripheral Si-Cl functions with the carborane
monolithium salts; b) the hydrosilylation reaction of tetravinyl or tetraallylsilane with carboranylsilanes
1-Me2HSi-2-R-1,2-C2B10H10 catalyzed by Karsted catalyst. Both methods afford the first generation
of carbosilane dendrimers functionalized with four peripheral carboranes. These synthetic routes
could be of extensively broad applicability for designed novel carborane and metallacarborane
dendrimers. Some dendrimers were successfully crystallized for X-ray diffraction analyses. If we
consider the many reactions that carboranes can undergo, it is clear that these and later
carborane-terminated dendrimer generations offer many opportunities for the functionalization
of the periphery.
III) Supramolecular Chemistry.
We have prepared a new family of (arene)ruthenacarborane complexes by an unprecedented
single and double dealkylation of the sulfonium groups in the dicarbollide ligands under very
mild conditions. Some of the new complexes present a large number of intermolecular interactions,
including the first example of a S-H···H-B dihydrogen bond and its combination with a C-H···S
hydrogen bond to afford unique two dimensional polymeric networks by an unconventional
cooperative effect.
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101
Selected references:
– R. Núñez, A. González, C. Viñas, F. Teixidor, R. Sillanpää and R. Kivekäs, “Approaches on the
Preparation of Carborane-Containing Carbosilane Compounds”, Org. Lett. 7, (2005), 231
– F. Teixidor, A. Laromaine and C. Viñas, “Regioselective synthesis of 6-monoalkylderivatives of [1CB9H10]- from dicarba-closo-dodecaboranes”, Angew. Chem.-Int. Edit. 44(15), (2005), 2220
– F. Teixidor, G. Barberà, A. Vaca, R. Kivekäs, R. Sillanpää, C. Viñas and J. Oliva, “Are methyl groups
electron-donating or electron-withdrawing in boron clusters?. Permethylation of o-carborane”, J.
Am. Chem. Soc. 127, (2005), 10158
– J.M. Oliva, N.L. Allan, P. v. R. Schleyer, F. Teixidor and C. Viñas, “Strikingly long C···C distances in
1,2-disubstituted ortho-carboranes and their dianions”, J. Am. Chem. Soc. 127, (2005), 13538
– J. Giner, C. Viñas, F. Teixidor, A. Comas-Vives, G. Ujaque, A. Lledós, M.E. Light and M.B. Hursthouse,
“Self-assembly of Mercaptane Metallacarborane Complexes by an Unconventional Cooperative
Effect: A C-H···S-H···H-B Hydrogen/Dihydrogen Bond Interaction”, J. Am. Chem. Soc. 127, (2005),
15976
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2. Homogeneus catalysis group
Personnel
Prof. Josep Mª Moretó
Dr. Susagna Ricart
Research Professor
Tenured Scientist
Dr. Anna Banet
Mr. Daniel del Moral
PhD Student
Equipment
* 2 Vacuum Lines
* 3 Rotary Vacuum evaporators
* 2 Oil pumps (simple effect, double effect)
* 3 Syringe pumps
* 1 Continuous microevaporator with incorporated owen
* 3 Destilatory for dry solvents
Research Progress
The Laboratory of Homogeneous Catalysis set off in 2001 after the incorporation of Prof. Josep M.
Moreto and Dr. Susagna Ricart to the ICMAB. In the last year the group a I3P postdoctoral fellow,
Dra. Anna Banet, has joined the group. The general aim of the Laboratory of Homogeneous Catalysis
(LCH) deals with organometallic compounds and its applications in catalysis, in particular, the
search for new catalysts and catalytic processes as well as the improvement of the existing ones
through the introduction of different modifications, as far as they convey substantial advantages
in processes of industrial interest.
In this period active collaborations have been established between the LHC and other groups either
in the Institute and abroad.
Along the years 2004-2005 a collaboration with Superconducting Materials and their Applications
(SuMAG) group from ICMAB, has been established leading to the inclusion of the members into
an European project, “HIPERCHEM”, for which the SuMAG group is the coordinator.
A collaboration with the group of Molecular Nanoscience and Organic Materials of the ICMAB is
also included in the European Network “SuperGreenChem” being MATGAS 2000 one of the partners.
Finally, the group is a member of the Network “Xarxa Temática de Catálisi Homogénea” sponsored
by the Departament d’Ensenyament de la Generalitat de Catalunya.
Homogenous Catalysis applied to Organic Synthesis. Nickel Chemistry.
Within this aspect, different alkyne carbonylation processes have been studied in the LHC group:
from the most simple alkyne carbonylation (Reppe process), for the synthesis of acrylic derivatives
with a high interest in polymer industry to the more sophisticated cyclocarbonylation of allyl halides
and alkynes to give cyclopentanic adducts of potential application in pharmaceutical and perfume
industries (prostaglandins and iridoids as respective examples).
Concerning the carbonylative cycloaddition of alkynes and allylic halides, a remarkable reaction
able to perform up to four C-C bonds at once, which was described by us originally mediated
stoichiometrically by nickel could be turned into catalytic in nickel, which is finally removed and
recycled. Thus, the use of substantial amounts of the toxic nickel mediator could be avoided.
Figure 1. Carbonylative cycloaddition reaction catalized by Nickel.
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HOMOGENEUS CATALYSIS GROUP
After a careful study of the mechanism we proved that the reaction could be rationally redesigned
in such a way that the catalyst is able to perform at least 40 cycles with yields reaching up to 95
%. The resulting cyclopentenones in this version display the second carbonyl group as a carboxylic
acid and not as an ester, like in the stoichiometric version. Our recent work is directed towards
applying these modified conditions to other variants of the reaction to widen its scope and also
to the more simple alkyne carbonylation. Particular emphasis is put on the use of surrogates of
the allyl component lacking any halogen substituent to provide an environmentally safer reaction.
In the 2005 a new approach to this catalytic reaction was started in our laboratory. This part of
work is included in the European Network “SuperGreenChem” It consisted of an study of the
catalytic cyclocarbonylative reaction using compressed fluids.
Synthesis of New Ligands and Macromolecules. Metal-carbene Chemistry.
Another subject of current interest is the study of systems with multiple carbon-metal bonds. Since
long, the activation of metals in low oxidation state by organic ligands to which they are bonded
has been known and used for synthetic purposes. In our laboratory the systems under study are
the metal carbon-heteroatom complexes known also as Fischer carbene complexes, in particular,
as partners in polar cycloaddition reactions. Thus, in these years, a series of uracil analogues with
the pentacarbonyl metal moiety have been prepared. This work is carried out with in collaboration
with Prof. Spinella from the University of Salerno in an Spain-Italy joint project. The incorporation
of the organometallic functional group into a biomolecule in order to modify its properties has been
recently developed as main feature of the new area of organometallic chemistry called biorganometallic
chemistry
Figure 2. Reaction of alkynyl alkoxy carbenes with ureas.
With a similar strategy, metallorganic macromolecules either of dendrimer type or organometallic
macrocycles (sometimes as strained as in cyclophanes) can be prepared. A further collaboration
with Prof. M.A. Sierra from the Universidad Complutense de Madrid related to the synthesis of this
strained macrocycles has also been established. It included, also, the study of intramolecular
electron transfer processes in bimetallic carbene complexes using electrospray ionization mass
spectrometry (ESI-MS) as a non-conventional source of electrons.
The presence of the metal moiety can not only activate the chemical reactivity of the organic part
but also play interesting steric effects when they are bonded, as ligands, to a metal (in catalysis,
for example). Aside from the potential application of these macromolecules as ligands, they are
also liable to display singular properties (NLO, CTM, etc) due to the possible conjugation of the
metal moiety with unsaturations in the nearby region.
Figure 3. «Core» of a dendrimeric structure bearing metal-carbene moieties.
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Chemical Solution Deposition.
Along the last years the increasing collaboration with the Superconducting Materials and its
Applications (SuMAG) group, has focussed on the use of chemical precursors for the preparation
of thin films and coated conductors...
The work of the LCH group consists of the search and development of organometallic and coordination
complexes useful as chemical precursors, in solution, for superconducting layers after their
processing
Joining two strategies “bottom-up” and “top-down” with the synthetic approaches using new
metaloorganic precursors we have set a completely new strategy for the growing of multifunctional
nanostructured layers. This approach is included in the objectives of a new European project,
“HIPERCHEM”, whose coordinator is the SuMAG group.
Another aspect deals with the synthesis of nanoparticles of metals and metal oxides. In fact, the
physical and chemical properties of nanoparticles can be varied by changing its size and morphology.
This work is included in a Spanish project called CANNAMUS and coordinated also by the SuMAG
group.
– X. Obradors, T. Puig, A Pomar, F. Sandiumenge, S Piñol, N. Mestres, O. Castaño, M. Coll, A.
Cavallaro, A. Palau, J. Gazquez, J.C. González, J. Gutiérrez, N Romà, S. Ricart, J.M. Moretó, M.D.
Rossell and G. van Tendeloo, “Chemical solution deposition: a path towards low cost coated
conductors”, Supercond. Sci. Tech. 17, (2004), 1055
– M.Ll. Nadal, J. Bosch, J.M. Vila, G. Klein, S. Ricart and J.M. Moretó, “The Ni Mediated
Cyclocarbonylation of Allyl Halides and Alkynes Made Catalytic. Evidences for a Pseudoradical
Mechanism Involving Ni I Species”, J. Am. Chem. Soc. 127(30), (2005), 10476
– A. Llordes, M.A. Sierra, M. Pla, E. Molins and S.Ricart, “Synthesis of New Polymetallic Carbene
Complexes. Uracil Analogs”, J. Organomet. Chem. 690, (2005), 6096
– X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, S. Piñol, N. Mestres, O. Castaño, M. Coll, A.
Rossell and G. van Tendeloo, “Solution chemistry: A path towards low cost coated conductors”,
Applied Superconductivity 2003: Proceedings of the 6th European Conference on Applied
Superconductivity, Institute of Physics Conference Series, A. Andreone, G.P. Pepe, R. Cristiano
and G.Masullo eds., IOP Publishing Ltd., 2004, vol. 181, pp. 239-244, ISBN 0750309814
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105
ELECTRONIC STRUCTURE OF MATERIALS GROUP
3. Electronic structure of materials group
Personnel
Prof. Enric Canadell
Prof. Pablo Ordejón
Dr. Eduardo Hernández
Research Professor
Research Professor
Tenured Scientist
Dr. Jorge Íñiguez
Dr. José Miguel Alonso-Pruneda
Dr. Manuel Cobian
Mrs. Patrícia Álvarez
Post-Doctoral Researcher
Mrs. Natalia Bedoya
Mrs. Sandra García
Mr. Marcin Kaczmarski
Mr. Jorge López Pérez
Mr. Eduardo Machado
Mr. Gerard Tobias
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
Equipment
* Cluster 12 nodos Athlon XP2000+
* Cluster 23 nodos Intel P4 2.86 Hz
* Silicon Graphics Origin 200 (2 CPU’s)
Research Progess
The Electronic Structure of Materials Laboratory came into being in 1996 with the appointment of
Professor Enric Canadell, current head of the Laboratory. In more recent years the group has
incorporated two new tenured members of staff, namely Pablo Ordejón in 1999, and Eduardo
Hernández in 2002. Thus the group has now achieved the minimum critical mass which allows for
the establishment of a number of different but complementary research lines with the necessary
continuity. In 2005 a new “Ramón y Cajal” fellow (Jorge Íñiguez) joined the group. Since its foundation,
a total of twelve postdocs and students have contributed to the group activities, and the flow of
short-term visitors is practically constant. The group has well-established collaborations with a
large number of other research groups in Spain, Europe and elsewhere.
Our expertise covers the following fields:
Development of Novel Simulation Techniques
The group has played and continues to play a leading role in the simulation community in the
development of new techniques for electronic structure calculation of materials employing firstprinciples density functional theory. The simulation code SIESTA (Spanish Initiative for Electronic
Simulation with Thousands of Atoms), developed as part of a collaboration between several
Spanish groups (although now this collaboration has been widened to include two groups from
British universities) has one of its main centres of activity and development in our group. This
program is capable of providing information on the electronic structure of complex systems, as
well as on their atomic structure and dynamical behaviour, under different conditions of temperature
and pressure. The program has been recently extended in order to enable it to treat electron
transport using a non-equilibrium Green´s functions formalism in collaboration with a Danish
group, and further extensions are planned for the future. SIESTA is speciffically designed to
address systems containing very large numbers of atoms, and this capability has brought it to
the attention of a large number of researchers elsewhere. At present there are nine hundred
groups wordlwide using this package.
Our group is also active in the development of novel simulation techniques, and very recently
development of a package implementing density functional theory in a real-space formalism has
been started. This methodology is complementary to SIESTA.
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Electronic Structure of Low-Dimensional Systems
The group has a long history in the study of the electronic properties of low-dimensional systems
employing semi-empirical electronic structure methods. In particular, the correlation between
electronic structure and structural or electronic instabilities is one of our main topics of interest
in these systems. A particular interest of ours in this context are the anomalies displayed by lowdimensional metals in their electronic transport properties, which can be traced back to a specific
topology of the Fermi surface. In order to understand the origin of these anomalies it is necessary
to correlate the topology of the Fermi surface (which we usually calculate on the basis of firstprinciples density functional theory) with the crystal structure. Semi-empirical electronic structure
methods are however an ideal tool for obtaining a rationalisation of the observed physical properties
of low-dimensional metals, because the simplicity of these methods frequently allows the straight
forward establishment of correlations with the symmetry, overlap or chemical bonding characteristics
of these systems, correlations which would be hidden in more advanced treatments.
Figure 1. Snapshot of an Molecular Dynamics simulation of the growth of Cu films on TaN surfaces by Chemical Vapour Deposition using
Cu(hfac)(tmvs) as a precursor. The image shows the absorption of the precursor on the surface, which is the first step of the deposition
process. (E. Machado et al., Langmuir 21 (2005) 7608).
Applications
The atomistic and electronic structure simulation methods that we use are widely applicable to a
whole range of topics of interest in materials science and technology. In particular, our range of
interests includes the following topics: Carbon Nanostructures including Fullerenes and nanotubes,
where we have made a number of significant contributions to the understanding of the structure,
mechanical and electronic properties and growth of these materials; Growth Processes at Surfaces,
such as the growth of oxide materials on silicon, a topic of great interest in microelectronics
applications; Structural, Dynamical and Electronic Properties of Defects and Impurities in
Semiconductors, particularly Si and SiC, the old and new paradigms of the microelectronics industry;
Molecular Metals and Superconductors, systems which we study both at the level of first-principles
and semi-empirical methods in order to elucidate the sublte interplay between structure and
electronic properties; Metallic Zintl phases, in order to understand their properties as well as the
origin of their stability since they usually exhibit either an excess or a deficit of electrons with
respect to those predicted by usual electron counting schemes; Materials for hydrogen storage,
we study the microscopic mechanisms that might improve the storage capabilities of the most
promising metal hydrides (e.g. NaAlH4) as well as various possibilities for H-storage in porous
systems and nanostructures
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ELECTRONIC STRUCTURE OF MATERIALS GROUP
107
Figure 2. Simulated dissociation and absorption of a hydrogen molecule on a sodium alanate (NaAlH4) surface doped with Ti. Sodium
alanate is one of the most promising hydrides for solid-state hydrogen storage. The calculations make it possible to identify the key role
played by the Ti dopants in facilitating the capture of hydrogens. (Íñiguez and Yildirim, submitted to Physical Review B)
– D. Sánchez-Portal, P. Ordejón, E. Canadell, “Computing the properties of materials from first
principles with SIESTA”, Struct. Bond. 113, (2004), 103
– J. Maultzsch, S. Reich, C. Thomsen, H. Requardt and P. Ordejón, “Phonon dispersion in graphite”,
Phys. Rev. Lett. 92, (2004), 075501
– R. Rousseau, M. Gener and E. Canadell, “Step-by-step construction of the electronic structure
of molecular conductors: conceptual aspects and applications”, Adv. Funct. Mater. 14, (2004),
201
– M. Kaczmarski, O.N. Bedoya-Martínez and E.R. Hernández, “Phase Diagram of Silicon from
Atomistic Simulations”, Phys. Rev. Lett. 94, (2005), 095701
– T. Yildirim, J. Íñiguez and S. Ciraci, “Molecular and dissociative adsorption of multiple hydrogens
on transition metal decorated C60”, Phys. Rev. B 72, (2005), 153403
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4. Molecular simulation group
Personnel
Dr. Lourdes Vega
Research Scientist
Dr. Daniel Duque
Dr. Carlos Rey
Dr. Andrés Mejía
Mr. Carmelo Herdes
Mr. Fèlix Llovell
Mr. Aurelio Olivet
Mrs. Alexandra Lozano
PhD Student
PhD Student
PhD Student
PhD Student
Equipment
* Computer network 8 PC Pentium IV, 2.8GHz and 3.2GHz
* Parallel Supercomputer DELL: 42U rack with 10 processors
– 4 units PowerEdge 1750-AC-Xeon 3.06GHz/1MB 533MHz FSB Integrated Floppy
– 6 units DELL Power Edge 850, processors Intel Pentium D (Dual Core) EM64T (32-64 bits) 3.20
GHz, 800 MHz FSB, 2Mb cache and 4Gb RAM
Research Progress
The Molecular Simulation group (MSG) at ICMAB-CSIC is a recently (2003) created group at the
Institut aimed to complement the research lines of the center. Our goal is to apply some of the
predictive tools from Statistical Mechanics to solve industrially relevant problems, with emphasis
in the fields of nanotechnology, catalysis and clean technologies. This approach provides not only
the macroscopic properties experimentally observable, but also a microscopic view and explanation
of the underlying physics governing the processes. This allows, in some cases, quantitative
predictions of relevant properties saving time and money. In addition, the theoretical tools permit
a systematic study of the influence of different, separated effects on the final behavior of the
system. The group has a proven expertise on Molecular Simulation applied to calculations of phase
equilibria, interfacial and transport properties of industrially relevant mixtures as well as modeling
of adsorbent and catalytic materials. We work in close collaboration with several experimental
groups and some industrial partners. This allows both the refinement of our theoretical tools and
the optimization of the experimental analysis of the systems under study.
Within the period 2004-05 the group has consolidated this research area at ICMAB, partially due
the incorporation of new members: two postdoctoral associates (J. Pàmies 2004, C. Rey-Castro,
2005), two PhD students (A. Olivet, A. Lozano) and a visiting professor (A. Mejía). The present
members of the group are: Drs. L. F. Vega (IP), D. Duque, R. Marcos, C. Rey-Castro, A. Mejía, and
the PhD. Students C. Herdes, F. Llovell, A. Olivet, J. Yustos, A. Lozano. During these years, our
group has maintained its active collaboration with the groups of Prof. K.E. Gubbins (North Carolina
State University),.Prof. F. Medina (Universitat Rovira i Virgili), Prof. C.J. Peters (Delft University of
Technology), and Profs. J. Coutinho and I. Marrucho (Universidade de Aveiro). Besides, we started
productive collaborations with the groups of Prof. Hugo Segura and Dr. Andrés Mejía (Universidad
de Concepción, Chile), Prof. F. Salvador (Universidad de Salamanca) and Prof. G. Calleja (Universidad
Rey Juan Carlos). These collaborations were enhanced with the research stays of C. Herdes (in
Aveiro) and F. Llovell (in Delft and Concepción), the extended visits of several PhD students from
Aveiro and U. Rey Juan Carlos at ICMAB, and the current postdoctoral stay of Dr. Mejía at ICMAB.
In 2005 the MSG received financial support from the Generalitat de Catalunya, as a Research
Consolidated Group.
We now describe our areas of interest.
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109
MOLECULAR SIMULATION GROUP
1. Thermodynamic and transport properties of complex systems
The group is pioneer on the development and applications of molecular-based equations of state
for engineering purposes, based on the SAFT approach, as well as on applications of molecular
simulation tools for specific industrial related problems. One of our main achievements has been
the proposition and further development of the soft-SAFT equation of state. The equation has been
applied with great success to several complex fluids and their mixtures, including heavy alkanes,
polymers, surfactants and aqueous solutions. The equation has been extended to consider different
molecular architectures, such as heteronuclear chains and branched chains. Our objective is to
provide a versatile, friendly used equation for engineering calculations, but with solid theoretical
bases.
A continuous improvement and extension of the soft-SAFT equation is a long-term project. On-going
extensions of this equation are the prediction of interfacial properties and the extension to the
critical region by a crossover treatment. We have also checked the predictive capability of the
equation for derivative properties such as heat capacities, Joule-Thompson coefficients, speed of
sound, etc. The extensions of the theory are first compared to molecular simulation data before
fitting any parameter.
Figure 1a. Pxy projection of the CO2/ethane mixtures at 263.15,
283.15, and 293.15 K. Symbols represent experimental data, and
solid lines are the soft-SAFT predictions.
Figure 1b. PT projections of the PTx surface of CO2/hexadecane
mixtures. The lines are crossover soft-SAFT predictions.
Figure 2. Snapshots of direct Molecular Dynamics simulations of SF6.
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Molecular simulations and theoretical approaches are also applied to predict the thermodynamic
behavior, interfacial and transport properties of complex fluid systems of industrial relevance, in
particular those with application to environmentally benign processes such as supercritical fluids,
perfluoroalkanes, ionic liquids and other alternative solvents.
Another area of expertise in this field is the application of Self Consistent Theories to predict the
behavior of polymers and copolymer solutions, including the self-assembled structures formed by
them. We have also experience on the prediction of Molecular Weight Distribution and Polydispersity
index of polymeric systems from rheological data and a molecular dynamics model.
2. Modeling and design of materials
A second area of expertise is the use of molecular modeling techniques to the modeling, design
and applications of new meso- and nano-materials tailor-made for specific applications. Simulations
are used to study the physical characterization of these materials (e.g., the Pore Size Distribution,
the surface area, chemical heterogeneity, etc.), as well as to design new materials for specific
applications, such as separation of gases through selective adsorption, etc. The methodology has
been applied, up to now, to amorphous alumina, controlled pore glasses, activated carbons and
hexagonal mesoporous silica. (MCMs, SBAs, PHTS, etc) and aluminum methyl phosphonate. We
are also studying the forces between coated surfaces by molecular simulations (effect of grafting
density, particle shape and size, solvent properties, etc) aiming to improve the stability of nanoparticle
suspensions.
The different materials are studied by a combination of state-of-the-art modeling techniques,
including Density Functional Theory, Grand Canonical Monte Carlo simulations and Molecular
Dynamics simulations. We have also developed mathematical tools to invert the adsorption integral,
searching for reliable Pore Size Distributions of porous materials.
Figure 3. Nitrogen adsorption on aluminum Methylphosphonate ·: Snapshots showing the influence of increasing ÛCH3,: from top to
bottom, 0.350, 0.361, and 0.375 nm. The van der Waals radii of 2.05, 1.80, 1.70, 1.52, and 1.2 Å for Al, P, C, O, and H, respectively,
were used to draw the figure (left). The ball-and-stick representation was used on the right-hand side for clarity. Red circles denote the
preferential loci for nitrogen molecules inside the pores.
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MOLECULAR SIMULATION GROUP
111
– A.M.A. Dias, J.C. Pàmies, J.A.P. Coutinho, I.M. Marrucho and L.F. Vega, “SAFT modelling of the
Solubity of Gases in Perfluoroalkanes”, J. Phys. Chem. B 108, (2004), 1450
– F. Llovell, J.C. Pàmies and L.F. Vega, “Thermodynamic properties of Lennard-Jones chain molecules.
Renormalization-group corrections to a modified Statistical Associating Fluid Theory”, J. Chem.
Phys. 121, (2004), 10715
– D. Duque and L.F. Vega, “Some issues on the calculation of interfacial properties by molecular
simulation”, J. Chem. Phys. 121, (2004), 8611
– C. Herdes, M.A. Santos, F. Medina and L.F. Vega, “Pore size distribution analysis of selected
hexagonal mesoporous silicas by grand canonical Monte Carlo simulations”, Langmuir 21 (19),
(2005), 8733
– A. Olivet, D. Duque and L.F. Vega, “Sulfur hexafluoride’s liquid-vapor coexistence curve, interfacial
properties, and diffusion coefficients as predicted by a simple rigid model”, J. Chem. Phys. 123
(19), (2005), 194508
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Crystallography and Solid State Chemistry Department
Head of the Department: Dr. Pedro Gómez-Romero
1. Cristallography and X-Ray diffraction group
Personnel
Prof. Carles Miravitlles
Prof. Elies Molins
Prof. Jordi Rius
Dr. Xavier Torrelles
Dr. Anna Roig
Mrs. Mercè Font
Mr. Joan Esquius
Research Professor
Research Professor
Research Professor
Tenured Scientist
Tenured Scientist
Technician
Research Assistant
Dr. Robert Lindsay
Dr. Lucía Fernández
Dr. Inmaculada Peral
Mr. Fco. Javier Campos
Mrs. Juana Martínez
Mrs. Elisenda Rodríguez
Mr. Martí Gich
Mrs. Elena Taboada
Mrs. Laura Martín
Mrs. Judit Galcerà
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
Equipment
* Two single crystal automated diffractometers Enraf Nonius CAD4 (100<T<300K).
* Mössbauer spectroscopy system (2<T<300K).
* Micro-Mössbauer: Miniaturized Mössbauer spectroscopy system (150K<T<300K).
* Equipped chemistry laboratory.
* Reactor high pressure and high temperature at laboratory scale (shared with Dr. J. Veciana group).
* Spin coating system (shared with Dr. X. Obradors group).
Research Progress
The Crystallography Laboratory was one of the founding laboratories of the Institute. It was created
by Profs. Miravitlles, Molins and Rius and achieved its critical mass with the incorporation of Drs.
Torrelles and Roig. Initially, the main activity was concentrated on single-crystal & X-ray powder
diffraction and Mössbauer spectroscopy studies. These studies involved both methodological
advances (code XLENS for crystal structure solution, energetics vs. topology relationships in
hydrogen bonds) and more systematic characterisation. Gradually, with the new incorporations,
the research topics have became broader, and currently the laboratory also deals with surface
GIXRD determinations, with accurate electron-density studies and with the synthesis of functional
aerogels and magnetic nanoparticles.
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CRYSTALLOGRAPHY AND X-RAY DIFFRACTION GROUP
113
The new incorporations in the period 2004-2005 were: Dr. I. Peral (Postdoctoral I3P contract) with
expertise in the field of powder diffraction; Dr. R. Lindsay (Ramón y Cajal) with expertise in surface
diffraction; M. Gich (Ph.D. student) developing magnetic nanocomposite silica aerogels; L. Martín
(M.Sc student) fabricating metal-doped carbon aerogels, E. Rodríguez (Ph D. student) exploring
new contrast agents for NMR imaging; E. Taboada (Ph D. student) working in the synthesis of iron
oxide nanoarticles for biomedical applications, and J. Galcerá (Ph.D. student) exploring the coupling
of synthons in the formation of co-crystals.
Most relevant collaborations during the period 2004-2005 were with: a. Prof. A. Corma and Dr. F.
Rey on zeolites (Inst. de Tecnología Química de Valencia); b. Prof. T. Sanfeliu on quantitative
diffractometry (Unidad de Mineralogía of the Univ.Jaume I of Castellón); c. Prof. J. Zegenhagen
(ESRF), Prof. Hermann Gies, (Institut für Mineralogie, Ruhr-Univ.Bochum) and Dra. Carmen Ocal
(ICMM-CSIC) on GIXRD; d. Dr. E. Espinosa (Univ.Bourgogne) and Dr. I. Alkorta (IQM-CSIC) on
topological analysis of electron densities; e. Prof. J.M. Manríquez & Dr. I. Chávez (Univ. Pontificia
de Chile), Dr. A. Slawska (Polish Acad. of Science) and Prof. J. Tejada (UB) on magnetic materials
and Mössbauer spectroscopy analysis; f. Prof. R. Sastre (ICTP-CSIC) and Dr. A. Costela (IQFR-CSIC)
on the use of aerogels as hosts for solid state dye lasers; g. Prof. C. Arús (UAB) and C. SanFeliu
(IDIBAPS-CSIC) on NMR imaging and citotoxicity; h. Prof. E. Duguet (ICMB, Bordeaux), Prof. R.
Muller (Univ. Mons) on biomedical applications of nanoparticles.
The principal research lines were:
1) Development of crystal structure determination methodology for powder X-ray diffraction. The
conceptual basis of ‘origin-free modulus sum function’ has been redefined in order to simplify the
phase refinement procedure. Now, it is possible to determine crystal structures with more than 500
atoms in the asymmetrical unit. In parallel to this, the subsequent image formation treatment has
been improved. Both improvements allowed solving important crystal structures. One example is the
crystal structure of the mineral blue pigment aerinite employed in middle-age Catalan paintings (see
Fig. 1). A second example is the crystal structure of an intermediate carbo-aluminate phase occurring
during the carbonation of the hydrated calcium aluminate cement. Only after the crystal structure
was known, the chemical reactions taking place during the carbonation process could be understood.
A third example is the crystal structure of complex large-pore zeolites ITQ-22 (ref. 1). In the future
this research line will focus on the adaptation of the isomorphous replacement technique to powder
data [Proj. MAT2005-01736]. These results are complemented with the solution of the crystal structure
of a molecular alloy applying our well-established Patterson-search technique to powder data. During
the period 2004-2005 Prof. J. Rius has been Coordinator of the Scientific Case of the now approved
High-resolution Powder Diffraction beamline at ALBA synchrotron.
Figure 1. Perpective view along (001) of the mineral blue pigment aerinite used in Catalan romanic paintings. This mineral is formed by
columns of three piroxene-like chains giving rise to the chains of face-sharing octahedra hosting the iron cations that are responsible for
the blue colour.
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2) Surface X-ray diffraction. During this period various important methodological advances have
been developed in relation to the GIXRD technique. One has been a new strategy to acquire almost
complete sets of structure factor amplitudes that are indispensable for the application of
direct-methods on very complex surfaces (ref. 2). A second advance has been the use of STM
information to complement the GIXRD data in the determination of the Sm(001) 11x11 reconstruction
that involves more than 400 Sm atoms. Very useful were also the modifications introduced in the
L.S. refinement program to treat as rigid-bodies the molecules and molecular fragments stuck to
monocrystalline substrates. In this way new insights in the c(4x2) reconstruction of hexadecanethiol
on Au(111) could be revealed by GIXRD which are important for the tribological properties of the
surface. Very important is the systematic study of the vicinal surface of ferroelectric materials like
SrTiO3 which are commonly used as substrates. Knowledge of the long-range ordered vicinal surfaces
is very important to better predict the growing of thin-films on them i.e. to better understand the
substrate/thin-film interface (2004 ESRF-Highlight on “Surface and Interface Science”). The activity
in this research line was complemented with the mounting of a small Surface Characterisation
Laboratory equipped with surface sensitive techniques as LEED and AUGER spectroscopies.
3) The topological analysis represent a useful strategy to extract information about the electron
density distribution. In order to establish new structure-property relationships, the goodness of the
Abramov approximation was demonstrated in the case of the evaluation of thermodynamical
properties from derived magnitudes of the electron density for hydrogen bonds. It was also shown
that the thermodynamical and topological magnitudes at the bond critical point vary continuously
in the transition from closed to open shell configurations. Similar behaviour has been also observed
for systems with excess or deficit of charge. (ref 3)
4) Superhydrophobic aerogels have been prepared and their properties analysed. (see Fig. 2).
Silica aerogels have been used as hosts to build solid state dye lasers and their robustness in
front of laser impacts have been demonstrated. Silica and carbon aerogels containing metallic
nanoparticles have been also prepared, as part of the M.Sc. thesis of L. Martin, and their catalytic
activity demonstrated in some selected reactions of organic synthesis processes in collaboration
with Prof. M. Moreno and Dr. A. Vallribera – UAB.
Figure 2. Almost spherical water bead on superhydrophobic silica aerogel, Chem. Commun. 2004, 2316-2317
5) ␧-Fe2O3 has been obtained as a pure form for the first time, allowing to clarify its structural and
magnetic properties, in particular, its low temperature transition. This phase shows huge magnetic
coercivity at room temperature (about 2T), rich magnetic phase diagram and magnetoeletric
properties. Several approaches to obtain magnetic nanocomposite aerogels have also been
established. (ref 4 and refs. therein)
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CRYSTALLOGRAPHY AND X-RAY DIFFRACTION GROUP
115
9) Use of the Fe8 complex as contrast agent for nuclear magnetic resonance imaging in vitro as
well as in vivo essays has been explored (ref. 5). The synthesis of iron oxide nanoparticles for
biomedical applications is being undertaken by E. Taboada as part of her Ph.D work.
1. A. Corma, F. Rey, J. Rius, M.J. Sabater and S. Valencia, “Supramolecular self-assembled molecules
as organic directing agent for synthesis of zeolites”, Nature 431, (2004), 287
2. X. Torrelles and J. Rius, “Faster acquisition of structure-factor amplitudes in surface X-ray
diffraction experiments”, J. Appl. Crystallogr. 37, (2004), 395
3. E. Espinosa, I. Alkorta, I. Mata and E. Molins, “Topological analysis of the electron density
distribution in perturbed systems. I. Effect of charge on the bond properties of hydrogen fluoride”,
J. Phys. Chem. A 109, (2005), 6532
4. M. Popovici, M. Gich, D. Niznansky, A. Roig, C. Savii, L. Casas, E. Molins, K. Zaveta, C. Enache,
J. Sort, S. de Brion, G. Chouteau and J. Nogués, “Optimized synthesis of the elusive ␧-Fe2O3
phase via sol-gel chemistry”, Chem. Mater. 16, (2004), 5542
5. E. Rodríguez, A. Roig, E. Molins, C. Arús, M.R. Quintero, M.E. Cabañas, S. Cerdán, P. López and
C. Santfeliu, “In vitro characterizations of an Fe8 cluster as potential MRI contrast agent”, NMR
Biomed. 18, (2005), 300
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2. Solid state chemistry group
Personnel
Dr. Amparo Fuertes
Dr. Nieves Casañ
Dr. Pedro Gómez
Dr. Rosa Palacín
Dr. Concepción Domingo
Mr. Julio Fraile
Mrs. Judith Oró
Research Scientist
Research Scientist
Research Scientist
Tenured Scientist
Tenured Scientist
Technician
Technician
Dr. Mónica Lira
Dr. Jesús Canales
Dr. Ana María López
Dr. David Muñoz
Dr. Heiner Santner
Dr. Vincent Meignen
Dr. Mihaela Baibarak
Mr. Jordi Cabana
Mrs. Elena López
Contracted Senior Engineer
Sabbatical
Sabbatical
Sabbatical
Mr. Gerard Tobías
Mrs. Belen Ballesteros
Mrs. Montserrat Casas
Mrs. Corina Tabacaru
Mrs. Ana Belén Jorge
Mr. Carlos García
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
Equipment
* 7 conventional furnaces, T<1500 ºC. One two-zones furnace, T<1300 ºC
* Nitruration system in NH3’, T<1300 ºC
* High sensitivity thermobalance Perkin Elmer (±10-7 g, T<1000 ºC)
* System for electrochemical synthesis and analysis, T<1000 ºC (Potentiostat-Galvanostat PAR
273A)
* Battery cycler system Arbin-BT2042
* System for electrophoretical synthesis 0-1000 V, 0-0.5 A
* Globe box Labconco
* 120 KV Transmission electron microscope JEOL 1210 equipped with EDS analyzer LINK QX 2000 X
Research Progress
The Solid State Chemistry Laboratory (SSCL) was founded in 1988 for the formation of the Institute
of Materials Science of Barcelona (ICMAB). It is integrated by five permanent CSIC researchers
(Prof. A. Fuertes, Drs. P. Gómez-Romero, N. Casañ-Pastor, M.R. Palacín, C. Domingo) a Ramón y
Cajal fellow (Dr. M. Lira), two technicians (J.Oró, A. Bea) and a variable number of PhD students
and postdoctoral associates. It initially worked in the field of the synthesis and crystal chemistry
of high Tc superconducting oxides and it has diversified into the synthesis and chemical and
structural characterization of functional materials such as electronic nitrides, hybrid electroactive
materials, ion conductors, and battery materials. The main research lines of the Laboratory and
selected highlights in the period 2004-2005 are:
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Synthesis and electronic properties of new mixed anion nitrides
The lower thermodynamical stability of metal nitrides relative to oxides frequently results in the
use of more complicated preparative methods and in the obtaining of air sensitive samples. As a
consequence the investigation of these compounds is relatively less explored with respect to
technological applications of known compounds as well as in the search of new phases. We have
investigated oxynitride perovskite compounds with general formula (AO)(ABO2N)n (A=Sr; B=Nb,Ta)
where one nitrogen is substituting one oxygen atom in each perovskite block. Nitrogen atoms order
in the equatorial planes of the niobium or tantalum octahedral, where the conducting electrons
are located, and the N/O disorder in these planes kill the possibility of metallic behaviour. In the
field of superconductors, a new phase has been observed during the sodium intercalation of
hafnium nitride chloride as intermediate between the host‚ ␤-HfNCl and the already reported
superconducting Na0.29HfNCl with Tc of 24 K; the new intermediate corresponds to a second stage
intercalate of HfNCl, it is superconducting with a critical temperature of 20 K and allows explaining
the different Tc’s previously observed in lithiated as well as in sodiated HfNCl. This is the first time
that staging, a phenomenon reported in graphite and other layered structures, has been observed
in this family of compounds.
Figure 1. High resolution electron microscopy image along [010] of the oxynitride Sr2NbO3N showing the K2NiF4 structure.
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Overoxidized silver copper oxides: Electrochemical solid state transformations and electron
delocalization
Electrochemical oxidation of oxides, in pellet or suspension form has allowed doping and intercalation
of oxygen ions and modification of physical properties such as superconductivity and magnetism
in the past as shown in previous reports of ICMAB. It has also been possible to obtain new phases
like Ag2Cu2O4 (as highly anisotropix 200 nm nanoparticles) from oxidation of lower oxides Ag2Cu2O3
in solid state. The oxygen content can be increased even further by ozonization, to yield Ag2Cu2O4.33.
The electronic structure, and the crystallographic structure of these new over-oxidized phases is
rather unusual as XPS, XANES and EXAFS show. All three elements show oxidation states above
the usual. Although first and second ionization potentials suggest that copper is more readily
oxidized than silver, this phase shows the contrary and it actually occurs in all elements with a
variable charge distribution and delocalization within the structure. The bond distances obtained
after structural refinement suggest a coordination for silver better described as a 2+4 octahedron,
where the equatorial oxygens contribute about 30% to the bond valence sum.
Inorganic materials for nickel or lithium batteries
Our research comprises diverse ongoing European, national or industrial research projects dealing
with different aspects of rechargeable nickel or lithium batteries covering either fundamental or
more applied topics such as: I) the microstructural characterization of model laboratory prepared
and industrial nickel hydroxide using powder diffraction and high resolution electron microscopy,
that have allowed us to determine that the particle/crystallite size is the primary factor determining
the electrochemical yield and that the gradual appearance of stacking faults with decreasing size
creates a synergic effect in the increase of capacity II) the study of already known promising
electrode materials for lithium ion batteries or the search for new phases such as lithium transition
metal nitrides and oxinitrides where remarkable results have been obtained for lithium manganese
oxynitrides that have been prepared, studied and patented as electrode material and III) the
optimization of cell components involving electrode engineering or electrolyte composition.
Figure 2. Left: Crystal structure of Ag2Cu2O3 and Ag2Cu2O4. Right: Average size
and shape of Ni(OH)2 crystallites as determined after Rietveld refinement using
powder diffraction data, that are fully consistent with the mean particle diameters
determined by TEM
Hybrid Organic-Inorganic Materials for Electrochemical Supercapacitors
We have developed a solid research line centered on the development of hybrid materials with
conducting polymers as the common factor plus all types of electroactive inorganic components,
from molecular species to nanoclusters, nanoparticles to extended oxides. There is a wide range
of applications for these synergic materials but our interest is strongly focused on energy storage
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and conversion (from lithium batteries to supercapacitors to fuel cells or solar conversion). Centering
on 2004-2005 results, our work has shown for the first time how electroactive hybrids, such as
the ones synthesized in our group with conducting polymers and polyoxometalate clusters, can be
effectively used as electrodes in electrochemical supercapacitors.
Proton-Conducting Membranes for Polymeric (PEM) Fuel Cells at High Temperatures
The membrane is one of the key components in the design of improved Polymer Electrolyte Membrane
Fuel Cells (PEMFCs). We have recently developed a whole series of polymeric materials as well as
their sulfonated and hybrid derivatives based on Polybenzimidazole polymers (PBI, ABPBI). We have
also optimized the fabrication of membranes from them and have put them to work as protonconducting electrolytes in PEM Fuel Cells working at high temperaturas (up to 180ºC). Our materials
present an extraordinary thermal stability and represent an excellent alternative to the existing
Nafion technology.
Figure 3. PBI membrane, formulas of PBI and ABPBI and polarization curve for ABPBI 2.8 H3PO4 membrane
Preparation of composite systems by supercritical fluid technology
The main achievements in this area have been the design and construction of high pressure
equipment to work with SCCO2 as a solvent, and the use of this equipment for the synthesis and
processing of several materials. Supercritical hydrophobic coating of nanopigments has been
performed for the preparation of biomaterials composites. Hydroxyapatite nanopigments have been
coated with a silane monolayer using an anhydrous SCCO2 method. The obtained nanopigment is
more easily dispersed in a hydrophobic phase (such as a biopolymer) than in similar materials
prepared using conventional technology. The use of a benign solvent such as SCCO2 for the process
eliminates the draw backs of toxicity of organic solvents in biomaterials preparation. Calcium
carbonate precipitation has been carried out using SCCO2 as a reagent. The use of SCCO2 instead
of CO2 gas (industrial process) allowed a better morphology control in the obtained powder.
Furthermore the precipitation of CaCO3 using SCCO2 has been applied for in situ carbonation of
concrete with the objective of enhancing its physical/mechanical properties.
– J. Oró-Solé, C. Frontera, B. Martínez, D. Beltrán-Porter, M.R. Palacín and A. Fuertes, “A New
Intermediate Intercalate in Superconducting Sodium-doped Hafnium Nitride Chloride”, Chem.
Commun. (2005), 3352
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– D. Muñoz-Rojas, G. Subías, J. Fraxedas, P. Gómez-Romero and N. Casañ-Pastor, “Electronic
Structure of Ag2Cu2O4 and its precursor Ag2Cu2O3. Oxidized mixed valence silver and copper and
internal valence fluctuations”, J. Phys. Chem. B 109, (2005), 6193
– J.A. Asensio and P. Gómez-Romero, “Recent developments on proton conducting poly(2,5benzimidazole) (ABPBI) membranes for high temperature polymer electrolyte fuel cells”, Fuel
Cells 5(3), (2005), 336
– M. Casas-Cabanas, J. Rodríguez- Carvajal and M. R. Palacín, “Microstructural analysis of nickel
hydroxide: anisotropic size versus stacking faults”, Powder Diffr. 20 (4), (2005), 334
– E. Loste, J. Fraile, M.A. Fanovich, G.F. Woerlee and C. Domingo, “Supercritical carbon dioxide
anhydrous method for the controlled silanization of inorganic nanoparticles”, Adv. Mater. 16-8,
(2004), 739
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121
Molecular Nanoscience and Organic Materials Department
Head of the Department: Prof. Jaume Veciana
1. Molecular nanoscience and organic materials group
Personnel
Equipment
Prof. Jaume Veciana
Prof. Concepció Rovira
Dr. David Amabilino
Dr. Daniel Ruíz-Molina
Dr. José Vidal-Gancedo
Research Professor
Research Professor
Tenured Scientist
Tenured Scientist
Tenured Scientist
Dr. Vladimir Laukin
Dr. Nora Ventosa
Dr. Elena Laukina
Dr. Marta Mas
Dr. Imma Ratera
Dr. Veronica Mugnani
Mrs. Patricia Iavicoli
Dr. Christian Sporer
Dr. Nans Roques
Dr. Neil Oxtoby
Dr. Miquel Gimeno
Dr. Adam McGlone
Dr. Santi Sala
Senior Researcher (ICREA)
Mrs. Vega Lloveras
Mrs. María Muntó
Mr. Jordi Gómez
Mrs. Maria Emilia Evangelio
Mr. Josep Puigmartí
Mrs. Nuria Crivillers
Mrs. Maria Cano
Mrs. Elba Gomar
Mr. Daniel Maspoch
Mrs. Angela Datcu
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
* Matrix laser desorption assisted/ time-of-fligth mass spectrometer (MALDI/TOF-MS)
* – Shimadzu-Kratos Kompact MALDI II.
* – mass range 100 - >200 kDa
* – mass resolution, up to 400 and accuracy ± 0.1%
* – pulsed extraction accessory
* High Performance Liquid Chromatography equipment (HPLC), Shimadzu.
* – quaternary pump; flow range, 0.01 ˜ 10.0 ml/min.
* Electrochemistry equipment, EG&G Princeton Applied Research; Potensiostat/Galvanostat 263A.
* – polarography /voltammetry technique.
* – cyclic and square voltamperometry technique.
* Automatic polarimeter, Propol.
* – continuous flux cell for HPLC.
* Vapour pressure osmometer, Krauer.
* – universal probe for aqueous solvents, T 25 - 70 °C.
* – universal probe for organic solvents, T 25 - 70 °C.
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* High-pressure bench scale equipment
* High-pressure view cell with variable volume; Pressure: 1-150 bar, Temperature:-20 a +100 ºC,
Volume: de 25 a 55 ml
Research Progress
Department of Molecular Nanoscience and Organic Materials (DNMMO) was founded as a new
Department of ICMAB in 2004 as a consequence of the intense research activity started several
years ago by the group and the considerable amount of scientific achievements reached. Several
tenured members of staff have been incorporated or promoted in recent years, namely Daniel RuizMolina in 2002, José Vidal-Gancedo in 2002, and Nora Ventosa in 2005. In 2003 Concepció Rovira
was promoted to Research Professor and in 2005 David Amabilino was promoted to Scientifc
Researcher. In addition, two new fellows were also joined to the Department, namely Marta MasTorrent as a “Ramón y Cajal” fellow in 2004 and Imma Ratera as a “Juan de la Cierva” fellow in
2005. A total number of 25 visiting personnel, postdocs and students have been participated actively
in the research activities of the Department in the last two years. Currently, the Department has
active collaborations with 26 research groups in Spain and 45 groups in Europe and elsewhere.
Main research activities
The main goal of the research developed at DNMMO has been to prepare and study nanostructured
functional molecular materials in order to gain and widen the knowledge in this field. This research
is especially relevant in the areas of Molecular Electronics and Supramolecular Chemistry in which
we expect to find materials interesting for potential applications. This interdisciplinary research
benefits from the complementary expertise of the members of the Department, as well as those
of the national and foreign collaborating groups. The long history of collaboration between the
component groups of the team has allowed us the training of the young researchers and permitting
to optimize human and material resources.
In addition, research activities underway form an important part of the 2005-2010 Strategic
Research Plan of the ICMAB and also are firmly set to the “NMP” priority area of the VI Framework
of the European Union is. The latter fact has allowed participate actively in various European projects
that are presently underway: 1 Integrated Project (NAIMO), 1 Network of Excellence (MAGMANet),
1 STREP project (SURMOF), 2 Marie Curie RTN Networks (QUEMOLNA and CHEXTAN) and 1 Marie
Curie EST site (FUMMASEC). Other possible beneficiaries of the work that have been carried out
are the Chemical, Electronic and Pharmaceutical industries, given that collateral results obtained
in the area of nanoemulsions, nanoparticles and molecular materials could be of practical use. A
proof of this potential is the interest shown in the activities by different national and international
enterprises as well as the recent entrance, as the NANOMOL Centre, into the “Xarxa d’Innovacio
Tecnológica” of the CIDEM (Generalitat de Catalunya).
The activities developed in the DNMMO integrate practices from supramolecular chemistry, surface
chemistry, functional molecular materials, and processing methods to develop new materials and
devices of practical interest in diverse economic sectors: Electronics, Materials, Pharmaceuticals,
and Fine Chemicals. The research areas are centred basically in the synthesis and self-assembly
of molecules in 1-, 2- and 3-dimensions as well as the development of methods that allow
nanostructuring of functional molecular materials for the preparation of novel functional devices.
These materials have been structured in the form of nanoparticles, nanosuspensions and/or gels,
and also as polymeric films on surfaces. Hybrid materials that incorporate functional molecules
anchored to metallic surfaces have also been investigated. he four following research areas have
been developed:
Preparation and processing of molecular functional nanostructures. Compressed fluid (e.g. CO2)
based processes have been developed. Such processes are easily scalable to industrial scale
allowing the preparation of materials as nanoparticles or nanosuspensions with different functionalities,
such as pharmacological activity or magnetic and electronic properties. Also, studies related with
chemical reactivity in these compressed media have been performed that allow the preparation
of compounds with high added value in an eco-efficient manner.[1] Also, methods that use
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MOLECULAR NANOSCIENCE AND ORGANIC MATERIALS GROUP
123
self-organisation and soft lithography on various surfaces have been employed for electro-active
molecules, with the aim of developing devices with applications as memories and/or sensors of
metal ions. Nanostructured films have been prepared, that have isolated molecules -or small groups
of them- and their functionality or b-i (or multi-) stability studied. Remarkable are the results obtained
in the nanopatterning of single-molecule magnets, based on Mn12 clusters, on surfaces of different
nature –polymeric, Au, etc.[2]
Figure 1. Molecular structure of the first example of a pure organic robust nanoporous soft ferromagnet.
Systems for Molecular Electronics. Systems for electronics have been prepared and studied, for
molecular materials - plastic electronics – and for isolated molecules (or small aggregates of them)
as electronic components. Molecules derived principally from tetrathiafulvalene have been synthesised
and studied, that can act as p-type field effect transistors.[3] The studies have been performed
on single crystals as well as on structured surfaces. These molecules wiere used for the preparation
of transparent and flexible films that have a structured (using different techniques) conducting
surface to create micro- and nano-circuits incorporating organic electronic components –resistor,
transistor, etc. Conducting organogels were also made to this end. Conducting molecular wires
that incorporate redox groups that can mediate electron transport were also synthesised.
Supramolecular assemblies that show electronic transport in one- and two-dimensions have been
organised on surfaces.
Figure 2. Highly ordered thin-layer of TTF derivatives showing the existing supramolecular arrangement with which a p-type OFET device
is made.
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Nanostructured magnetic molecular compounds. Nanoporous multifunctional molecular magnetic
materials were designed, synthesised, and studied. These compounds are comprised of persistent
organic free radicals, derived from carboxylic derivatives of polychlorinated triarylmethanes, which
act as ligands for magnetically active transition metal ions. The number and position of the carboxylic
groups in these radicals allow control of the structure, topology, void spaces and magnetic properties
of the resulting open-framework materials that present coexistence between magnetism and
chemical (vapour absorption) or physical (luminescence) properties.[4] Supramolecular assemblies
of endometallofullerenes on polymeric and metallic surfaces have been also prepared. These
compounds are of great interest for their magnetic, electrical, and optical properties.
Figure 3. Polymorphic supramolecular arrangements of a TTF derivative organized on the surface of a highly oriented pyrolithic graphite.
Chiral supramolecular organizations. The synthesis of chiral and multifunctional molecules porphyrins and other aromatic systems with stereogenic centres near and far from the rigid centreand the study and understanding of the formation of their supramolecular assemblies has been
another of the principle objectives. These studies were addressed to the understanding of the
transmission of chirality from molecular units at the nanometre scale in one and two dimensions.
The study of the chemical (molecular recognition) and physical (conductivity, magnetism and optical)
phenomena in these systems are addressed to the discovery of possible synergies that exist
between their chiral structure and properties.[5]
[1]. S. Sala, N. Ventosa, T. Tassaing, M. Cano, Y. Danten, M. Besnard and J. Veciana, “Synergistic
enhancement of the solubility of hexamethylene-tetramine in subcritical CO2-ethanol mixtures
studied by infrared spectroscopy”, ChemPhysChem 6, (2005), 587
[2]. M. Cavallini, J. Gómez-Segura, D. Ruiz-Molina, M. Massi, C. Albonetti, C. Rovira. J. Veciana and
F. Biscarini, “Magnetic information storage on polymers by using patterned single-molecule
magnets”, Angew. Chem.-Int. Edit. 44, (2005), 888
[3]. M. Mas-Torrent, P. Hadley, S.T. Bromley, X. Ribas, J. Tarrés, M. Mas, E. Molins, J. Veciana and
C. Rovira, “Correlation between crystal structure and mobility in organic field-effect transistors
based on single crystals of tetrathiafulvalene derivatives,” J. Am. Chem. Soc. 126, (2004),
8546
[4]. D. Maspoch, N. Domingo, D. Ruiz-Molina, K. Wurst, J. Tejada, C. Rovira and J. Veciana, “A robust
nanocontainer based on a pure organic free radical”, J. Am. Chem. Soc. 126, (2004), 730
[5]. E. Gomar, J. Veciana, C. Rovira and D.B. Amabilino, “Chiral teleinduction in the formation of a
macromolecular multistate chiroptical redox switch”, Adv. Mater. 17, (2005), 2095
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OPTICAL PROPERTIES OF MATERIALS GROUP
Electronic Materials and Crystal Growth Department
Head of the Department: Dr. Jordi Fraxedas
1. Optical properties of materials group
Personnel
Dr. Narcis Mestres
Dr. Miquel Garriga
Dr. Maria Isabel Alonso
Research Scientist
Research Scientist
Tenured Scientist
Dr. Alejandro R. Goñi
Dr. Josep Oriol Ossó
Señor Researcher (ICREA)
Mr. Raúl Pérez
Mr. Alessandro Bernardi
Mrs. Minerva de la Calle
Mr. Paul Dominique Lacharmoise
Mr. Juan Sebastián Reparaz
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
Prof. Manuel Cardona
Visitor Professor (ICREA)
Equipment
* Rotating polariser espectral ellipsometer with variable angle of incidence, 230 to 1700 nm,
equipped with ultra-high vacuum cryostat. Temperature range: 4.2 to 400 K.
* Fiber optic compact spectrometer with diffuse reflectance accesories for colorimetry.
* Photometric setup with a 300 mm focal length spectrometer and a CCD detector.
* Fourier-transform-infrared (FTIR) ellipsometer with variable angle of incidence, 400 to 6000 cm-1.
* Sample preparation stage (machining and polishing).
Research Progress
Our research group focuses on fundamental issues surrounding optical and optoelectronic materials,
especially low-dimensional nanostructures. Our areas of emphasis can be divided into two general
topics: Group IV semiconductor growth by molecular-beam epitaxy (MBE) and the use of optical
spectroscopic techniques to study the electronic, optical, and physical properties of these and
other electronic materials.
The group with its present structure started with two tenured members of staff, Miquel Garriga
and Maria Isabel Alonso, and achieved a minimum critical mass towards the end of 2003 when
Alejandro R. Goñi joined the group as ICREA research professor. The team also included several
pre-doctoral students: J. Oriol Ossó (doctor thesis 2004), Minerva de la Calle, Alessandro Bernardi,
J. Sebastián Reparaz, and Paul D. Lacharmoise. For the group, the period 2004-2005 has represented
the activity start-up in several new experimental techniques, detailed below. Therefore, much of
the team endeavor has been invested into setting up the mentioned facilities. These efforts will
be crucial for the present and future development of the group’s scientific research projects. The
group maintains collaborations with a number of other groups from all around the world, in the
mentioned period mainly from Valencia (Spain), Germany, Slovakia, Argentina, and Japan.
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Using all available techniques, we work towards understanding the relationships between the
structure and the optical properties of the different electronic materials which is the necessary
and previous step to producing and using the nanostructures and properties that will lead to the
future generations of optoelectronic devices.
MAIN RESEARCH LINES
We are an experimental physics team working with several techniques that can be classified in
two basic areas: Epitaxial growth of semiconductors by MBE (since 2002) and optical spectroscopies.
The main optical techniques are spectroscopic ellipsometry (ir-vis-uv), micro-Raman scattering,
and photoluminescence. We also use a diamond anvil cell for measurements under high hydrostatic
pressure and are starting to work with high spatial resolution using a scanning near-field arrangement.
Specific research results during 2004-2005 were:
• Organic semiconductors
We are interested in organic semiconductors because of their increasingly important role in
optoelectronic applications. To achieve specific functionalities it is necessary to deposit these
molecular materials in thin ordered films, which is not easy due to polymorphism and formation
of equivalent rotational domains. In collaboration with the Max-Planck-Institut für Metallforschung
we are working on different systems, for example see Ref.1. We developed methods based on
Raman scattering and ellipsometry to characterize the observed anisotropies. In particular, light
propagation and attenuation in a general (i.e., triclinic) symmetry is nowadays barely known but is
relevant to design new device concepts based on optical anisotropies. These properties, based
on knowledge of the dielectric tensors, can be measured by ellipsometry. We developed a mathematical
procedure that allows to relate such measurements with the two — real and imaginary — ellipsoids
[2]. We experimentally demonstrated that, as expected from symmetry arguments, the principal
axes of the dielectric tensor are independent from the crystallographic axes, so that real and
imaginary axes do not coincide and have variable orientations depending on the light frequency.
• MBE of Si-Ge-C
Group IV semiconductor nanostructures are technologically important for optoelectronics. By means
of MBE growth, we pursue the quest for new optoelectronic materials compatible with all-Si
technology, thus enabling monolithic integration with conventional electronics. The use of epitaxial
techniques for nanofabrication is another of the major lines. In the past two years we mainly
focused on the growth of Ge on Si (001), taking place in the Stranski-Krastanow mode which allows
to obtain self-organized nanostructures or quantum dots. This is a field of intense research where
many groups have been working previously in different aspects. Our concept is to work both in
basic aspects and sample fabrication, since improved nanostructures will only be possible by a
profound understanding of the physical phenomena with feedback onto the growth processes. Our
first results [3] address the problem of knowing the actual potential profiles in Ge/Si quantum
dots. This is not only a structural problem since built-in strain is capable of inducing Si diffusion
into the Ge quantum dots. By using optical techniques (ellipsometry and Raman scattering) we
were able to correlate strain and composition profiles with morphology. The results were shown
to unify previous different observations that seemed contradictory, contributing to the understanding
of the actual growth mechanisms.
We also started to work in Carbon-engineered morphologies (see Fig. 1). The Stranski-Krastanow
growth mode, which is characterized by an underlying wetting layer, is no longer valid. C-Ge quantum
dots grow according to a Volmer-Weber nucleation mode and also change their morphology, both
factors tend to give these dots a stronger zero-dimensional character. We improved the in-situ
growth analysis by reflection-high-energy electron diffraction to monitor growth kinetics and quantify
in-plane strain during the processes.
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Figure 1. Change in morphology observed when different submonolayer amounts of C are deposited previously to Ge quantum dot growth.
The four indicated C zones were defined on a wafer by means of a shadow and quantum dots were simultaneously deposited to exclude
any spurious effects.
• Emerging lines
In the second half of 2005 the group research included investigations with the newer setups:
Spectroscopy under high hydrostatic pressure, detailed micro-Raman investigations of microstructures
(MEMS), as well as incipient work with near-field scanning optical microscopy (NSOM, see Fig. 2).
Figure 2. Correlation between (a) reflectance and (b) topography in a sample of Ge quantum dots deposited by MBE, measured by NSOM.
[1]. J.O. Ossó, F. Schreiber, M.I. Alonso, M. Garriga, E. Barrena and H. Dosch, ”Structure, morphology,
and optical properties of thin films of F16CuPc grown on silicon dioxide”, Org. Electron.
5 (1-3), (2004), 135
[2]. M.I. Alonso and M. Garriga, “Optical properties of anisotropic materials: An experimental
approach”, Thin Solid Films 455-456, (2004), 124
[3]. M.I. Alonso, M. de la Calle, J.O. Ossó, M. Garriga and A.R. Goñi, “Strain and composition
profiles of self-assembled Ge/Si(001) islands”, J. Appl. Phys. 98 (3), (2005), 033530
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2. Crystal growth group
Personnel
Prof. Albert Figueras
Dr. Jordi Fraxedas
Dr. José Santiso
Research Professor
Tenured Scientist
Tenured Scientist
Dr. Gemma García
Dr. Jaume Caro
Dr. José Angel Pardo
Dr. Eniko Gyorgy
Mr. Isaac Justícia
Mrs. Silvia Molas
Mrs. Cecilia Solis
Mrs. Mónica Burriel
Mr. Guillaume Sauthier
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
Equipment
* Q-switched Nd:YAG (QUANTEL) laser system operating at the fundamental 1064 nm wavelength.
The amplified fundamental output can be doubled and tripled in KDP crystals, producing pulses
of 532 and 355 nm wavelength. The temporal duration of the UV pulse used for excitation
has been determined to be ~20 ns FWHM with a Gaussian pulse profile.
* IR, visible and UV optics (THORLABS), consisting of mirrors, lenses and access windows for
beam line focusing at the three laser operating wavelengths.
* Pyroelectric laser energy detector with controller (COHERENT)
* Two pulsed laser deposition (PLD) experimental apparatus, consisting of ultrahigh vacuum (UHV)
chambers. Both chambers are equipped with target carrousel, (NEOCERA) and oxygen resistant
substrate heater (EUROTHERM controller). The base pressure of the vacuum systems reaches
–8
10 mbar (EDWARDS mechanical and ALCATEL turbomolecular pumps).
* Matrix for PLD targets preparation (SPECAC)
* UV-VIS spectrophotometer operating in the 190-1100 nm wavelength range (HELYOS)
* Complete home-made equipment for photocatalytic efficiency tests of thin film materials
* Two metal organic chemical vapor deposition (MOCVD) reactors
* High temperature AC transport measurement system
* Oxygen permeability through solid membranes characterisation equipment
* XPS system equiped with an hemispherical energy analyser (EA10P) and conventional X-ray
sources
Research Progress
The Crystal Growth Laboratory is dedicated since the foundation of the Institute to the study of the
thin film growth process of inorganic and organic materials. Our group is formed by three staff
members: Dr. Albert Figueras (head of the group), Jordi Fraxedas and José Santiso (tenured research
scientists), and has recently incorporated Dr. Eniko Gyorgy, (contracted scientist, in the frame of
the Ramón y Cajal programme). There are two PhD Thesis in progress (Cecilia Solis: “Thin film
deposition of mixed ionic-electronic conducting Sr4Fe6O13 epitaxial layers by PLD”; Mónica Burriel:
“PIMOCVD deposition of lanthanum nickelate epitaxial films and study of ionic electronic transport”).
More recently two more thesis have been started (Silvia Chellini, “Deposition of CeO2-ZrO2 composite
thin films by PIMOCVD and ionic oxygen transport characterization”, and Guillaume Sauthier, “Synthesis
and characterization of undoped and nitrogen doped titanium oxide thin films for photocatalytic
applications”).
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The research activities in our laboratory in the period 2004-2005 are mainly the following:
Thin Oxide films for Solid State Electrochemical Devices deposited by PLD Pulsed Laser deposition)
and Pulsed Injection MOCVD (Metal Organic Chemical Vapour Deposition)
The search for new complex oxide compounds exhibiting high mixed ionic and electronic conductivity
(MIEC) is the subject of an increasing research activity in the last years due to their technological
applications-such as oxygen membranes, cathodes in solid oxide fuel cells, and gas sensors.
Some complex oxides with perovskite related intergrowth structures, such as Sr4(Fe,Co)6O13±d and
La2NiO4+d, have been reported to show enhanced stability in a wide range of oxygen pressures
while maintaining high values of their mixed conductivities. The objective of this work is to study
epitaxial thin films of Sr4Fe6O13±d and La2NiO4. The oxygen migration mechanism is expected to be
predominant along the basal planes of the structure. The deposition of high quality epitaxial films
would then make possible the study of the intrinsic anisotropy in transport properties, with a
negligible influence of the grain boundaries, along with the influence of strain and reduced
thickness.
Another activity of our group in this field consists in the deposition of YSZ layers on porous and
non-porous substrates using the Pulsed Injection MOCVD technique for solid electrolyte applications.
This process has been optimised in order to obtain dense YSZ membranes to be used as solid
electrolytes in SOFC, oxygen generators and oxygen sensors. Future work will consist in the
preparation of anode-electrolyte-cathode multilayered devices. For this purpose, experimental
parameters have been studied and optimised in order to obtain thin YSZ membranes on dense
and porous substrates.
During this period the group has established collaborations with several laboratories: EMAT, Electron
Microscopy Center, Antwerp (Belgium); Imperial College London, (UK), Risoe National Lab, (Denmark),
Massachussetts Institute of Technology-MIT, Cambridge, Boston (US).
Figure 1. HREM cross sections of Sr4Fe6O13 and La2NiO4 epitaxial films on SrtiO3(001) deposited by PLD amd MOCVD, respectively, in our
laboratory.
Growth of undoped and doped transition metal oxides, as well as nanostructures consisting of
noble metal nanoparticles on transition metal oxide thin films surfaces by pulsed laser deposition
(PLD) for future photocatalytic devices, gas- and biosensors.
The dynamics of Au nanoparticles grown on the ZnO thin films surface was studied as a function
of number of laser pulses applied for the ablation of the Au target. The local electric properties of
the uncoated (reference) and coated with Au ZnO thin films were investigated by current sensing
mode atomic force microscopy (Fig. 2). The contrast in the conductivity maps revealed the metallic
character of the Au nanoparticles grown on the insulating ZnO thin films surface.
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Figure 2. AFM image and conductivity map of the same surface areas for a ZnO film with Au coverage. The magnification is the same for
both the image and the map.
These features justify the use of the obtained heterostructures in gas sensor applications since
metallic nanoparticles act as preferential catalytic adsorption sites in reducing chemical environment.
Another research line of the group is the control of pulsed laser deposited TiO2 thin films’ crystalline
structure. The anatase to rutile phase transition was found to depend, at a fixed substrate temperature,
on the incident laser fluence as well as oxygen pressure values. This can be attributed to the
decrease of the kinetic energy of the evaporated species under the action of the laser pulses, by
enhanced collisions during their transit from the target towards the substrate surface.
Due to its relatively large band gap TiO2 absorbs only the UV fraction of the solar radiation. The
formation of TiO2-xNx shifts the optical absorption edge to the visible region due to narrowing of the
material band-gap. The incorporation of N atoms in the TiO2 matrix during film deposition in N2 was
followed by X-ray photoelectron spectroscopy.
This work has been partially performed in collaboration with National Hellenic Research Foundation,
Theoretical and Physical Chemistry Institute, Greece.
Molecular organic materials
In collaboration with the Laboratoire de Chimie de Coordination (LCC-CNRS) in Toulouse, we have
obtained metallic thin films of the molecular metal and superconductor TTF[Ni(dmit)2]2, obtained
by the well-known and extensively-used electrocrystallization technique on (001)-oriented silicon
substrates. The films exhibit metallic character down to ca. 12 K, in spite of their polycrystalline
morphology, as shown in Fig. 3. Below this temperature the resistance slightly increases. Such
behaviour is totally reversible, when warming back to room temperature. Such a reversibility has
also been observed on single crystals of TTF[Ni(dmit)2]2. Taking into account the size and shape
-1
of the studied sample, ␴RT 12 S cm is obtained. As expected because of grain boundary effects,
-1
these values are much lower than the conductivity values of single crystals (300 S cm at 300 K).
The metallic behaviour evidences that low intergrain conduction energy barriers are achieved, in
contrast with most thin films of highly-conducting materials reported to date.
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CRYSTAL GROWTH GROUP
131
Figure 3. Resistance normalized to room temperature resistance as a function of temperature for electrodeposited TTF[Ni(dmit)2]2 thin films
(cooling cycle). The inset shows a detail of the low temperature region for both cooling (black dots) and heating (grey dots) cycles.
In collaboration with the Laboratoire Chimie, Ingénierie Moléculaire et Matériaux d’Angers and
the Laboratoire de Physique des Solides in Orsay (France), we have synthesized and characterized
new monoclinic polymorphs of the Bechgaard-Fabre salts ␮’-(TMTTF)2ReO4, ␮’-(TMTTF)2IO4 and
␮’’-(TMTSF)2ClO4 by confined electrocrystallization. The stacks are significantly dimerized in the
former two whose conductivity is activated and that, on the contrary, the quasi-regular zig-zag
stacking pattern and electronic structure of the latter are essentially similar to those of the
prototypical triclinic metal and superconductor (TMTSF)2ClO4.
Finally, thanks to the ability of an AFM to topographically image a surface and to apply forces
perpendicular to it we have studied the case of nanometer-scale beakers filled with water, formed
by dewetting of a dissolution of an organic material with its solvent. The confinement of such water
nanodroplets allows their imaging and the exploration of their mechanical behavior. Surprisingly to
a certain extent, their mechanical response can be approximated by a hookean spring exhibiting
force constants, closely related to the surface tension, significantly larger than the well-known value
-1
of 0.073 Nm . This is ascribed to the larger values to the involved nanometric length scale.
– M.D. Rossell, A.M. Abakumov, G. Van Tendeloo, J.A. Pardo and J. Santiso, “Structure and
microstructure of epitaxial Sr4Fe6O13±␦ films on SrTiO3”, Chem. Mater. 16, (2004), 2578
– G. Garcia, R.I. Merino, A. Larrea, J.I. Peña, M.A. Laguna-Bercero, J.A. Pardo, J. Santiso and A.
Figueras, “YSZ thin films deposite don NiO-CSZ anodes by Pulsed Injection MOCVD for Intermediate
temperature SOFC applications”, Chem. Vapor Depos. 10, (2004), 249
– E. György, J. Santiso, A. Figueras, A. Giannoudakos, M. Kompitsas and I.N. Mihailescu, “Morphology
evolution and local electric properties of Au nanoparticles on ZnO thin films”, J. Appl. Phys. 98,
(2005), 084302
– D. de Caro, J. Fraxedas, C. Faulmann, I. Malfant, J. Milon, J.-F. Lamère, V. Collière and L. Valade,
“Metallic thin films of TTF[Ni(dmit)2]2 by electrodeposition on (001)-oriented silicon substrates”,
Adv. Mater. 16, (2004), 835
– S. Perruchas, J. Fraxedas, E. Canadell, P. Auban-Senzier and P. Batail, “Monoclinic Polymorphs of
the Bechgaard and Fabre Salts”, Adv. Mater. 17, (2005), 209
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Magnetic and Superconducting Materials Department
Head of the Department: Prof. Josep Fontcuberta
1. Magnetic materials and applications group
Personnel
Equipment
Prof. Josep Fontcuberta
Prof. Benjamín Martínez
Dr. José Luís García-Muñoz
Dr. Lourdes Fàbrega
Dr. LLuis Balcells
Research Professor
Research Professor
Research Scientist
Tenured Scientist
Tenured Scientist
Dr. Vladimir Laukhin
Dr. Carles Frontera
Dr. Florencio Sánchez
Dr. Pfiemysl Beran
Dr. David Hrabovsky
Mr. Carles Corbella
Senior Researcher (ICREA)
Mr. Diego Rubi
Mrs. LLibertat Abad
Mrs. Ingrid Cañero
Mr. Xavier Martí
Mr. Franco Rigato
Mr. Gervasi Herranz
Mrs. Raquel de Souza
Mr. Nico Dix
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
Student
Common with Superconductors Materials Laboratory
Laboratory Physical Properties:
* Cryostat with superconducting magnet 12 T, 1.5 - 300 K
* – resistivity and Hall effect
* Cryostat with superconducting magnet 4 T Helmoltz, 1.5 - 300 K
* – critical current anisotropy
* Resistivity under pressure, 12 Kbar
* Kerr magnetometer 10K - 300 K
* Hall probe magnetic field imaging, 78 K, 1T, XYZ micropositioner
* Levitation force measurement system (2 axes), 78 K, YZ micropositioner
* Cryostat with superconducting magnet 1 T, crossed fields, 4 - 300 K
Laboratory Chemistry, Ceramics and Microstructure:
* Bridgman and tubular furnaces with controlled atmosphere (10)
* Box furnaces (4)
* Tubular furnace with pressure sensor
* Screen printing equipment
* Electrochemical oxygen sensor (Zr cell) and pump
* Diamond saw and polishing system
* Milling and pressing equipment (uniaxial and cold isostatic)
* Optical microscope and image analysis
* Software for transmission electron microscopy image processing
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MAGNETIC MATERIALS AND APPLICATIOS GROUP
133
* Laboratory for sol-gel with controlled humidity
* Spin coater
* General instrumentation for solution chemistry
* Optical microscope with polarized light
* Software for image analysis
Laboratory Thin films:
* 2rf Magnetron sputtering chambers with 3 targets
Cryogenics Service:
*Helium liquefier, Helial 7, Air Liquide
* Helium recuperation unit
Research Progress
Introduction
The scientific activity of our Laboratory is axed on materials and devices for spintronics. During
this period the activity has followed, basically, the trends of the previous years, which was determined
by the existence of demanding European, National and Industrial Contracts. As requested by the
existing projects, new activities and experimental tools are related to the needs of morphological
and functional nanocharacterization. This includes extensive use of proximity probes, as well great
attention to epitaxial growth mechanism and film surface nanostructuration, electronic properties
and functionalities as well as development of tools for nanopatterning (e-beam andr AFM).
During the 2004-2005 periods, the group has incorporated a new staff scientist (F. Sánchez),
specialist in thin film growth, and two post-docs have been attracted D. Hrabrovsk and P. Beran,
who were incorporated to the tasks of magnetooptics and crystallochemistry respectively.
Within the framework of an STREP project (FP6) of the U.E., new international collaborations have
been settled with Universities, Research Establishments and Companies of all over Europe. Similarly,
the THIOX project from the ESF is providing an appropriate forum for dissemination and presence
in Europe of the activities developed within the laboratory. A number of bilateral international
collaborations (France, Italy, Poland, Germany,…) contribute also the research and formation. Within
the framework of these collaborations, a PhD thesis in cotutelle has been completed within the
period.
NEW MATERIALS AND DEVICES FOR SPIN ELECTRONICS
The research is mainly axed on materials and devices for spintronics. The activity we have performed
within the 2004-05 period can be grouped as follows:
(a) New materials.
(I) Understanding electronic structure and magnetic coupling and improving magnetotransport
properties of double perovskites (Sr2FeMoO6 type). We have discovered two alternative ways
to increase the Curie temperature in these oxides, namely electron doping and Fe
over-stoichiometry.
(II) Epitaxial stabilization of new metallic and ferromagnetic systems. Enhanced ferromagnetism
and metallic behavior has been found in nanometric NiFe2O4 films,
(III) Exploration of wide-gap II-VI semiconductors, such as doped ZnO or TiO2, (so-called Diluted
Semiconductors), as candidates for ferromagnetic semiconductors (Fig. 1),
(IV) Growth of biferroic thin films. We have pioneered the growth of ferroelectric and ferromagnetic
nanometric thin films of BiMnO3 oxides and related compounds.
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Figure 1. (a) Z-contrast STEM images of the LCMO/STO interface. (b) 1: SEM image of 500 nm circles patterned film by using the focus
ion beam (FIB) technique. 2: AFM topography. 3: Setup for transport measurements. 4: Resistance mapping of some patterned circles.
(c) Hysteresis loop of Co-doped ZnO.
(b) Self-organization of oxide surfaces and functional oxides.
(I) Understanding and control of growth mechanism of oxide thin films (Fig. 2).
(II) Self assembling of functional oxides. We have obtained self-assembled growth of submicronic
pyramids of ferromagnetic CoCr2O4 and related oxides that are subsequently used as templates
for growth of multifunctional nanocomposites.
(c) Inferface phenomena in thin film.
(I) Exploring the effects of growth modes on functional properties of oxides. We have shown that
the carrier mean free path in nanometric SrRuO3 thin films can become anisotropic as a result
of growth mechanism (Fig. 2) .
(II) Epitaxial stabilization of metastable phases. For instance, the elusive orthorhombic YMnO3
phase has been grown under appropriate substrates.
(III) Exposed surfaces in manganites. We are analyzing the role of surface layers in La2/3Ca1/3MnO3
(LCMO) epitaxial thin films. It is found that the topmost layer acts as an insulating barrier
(Fig. 1).
(IV) Electronic phase separation in epitaxial thin films. It is found that substrate polarity and strain
play an important role on the occurrence charge separation in manganites thin films. For instance
this occurs in LCMO on SrTiO3 (001) but it is almost absent in LCMO on SrTiO3 (110).
Figure 2. (A) Magnetooptical response of a SrRuO3 film displaying in-plane uniaxial magnetic anisotropy. The orthorhombic quasi-single
crystalline structure forms by a step flow growth mode. (B) Perfect step-flow growth of oxide heterostructures. Top image is an AFM
(tapping mode) of a SrTiO3 barrier, 2.4 nm thick, grown on a manganite (La2/3Ca1/3MnO3) layer. Bottom panels: Nanoscale functional
characterization done by conducting AFM. The left and right images are conductance maps at 2V of the bare electrode (left) and the 2.4
10
nm thick SrTiO3 barrier(right); its resistance is above 10 액, more than four order of magnitude than the measured without barrier. (C)
Top: schematic view of a spin filter; only electrons with spin polarization parallel to the filter (BiMnO3 in this case) and detector (LSMO,
in this case) magnetizations are allowed to cross the tunnel device. When filter and detector have antiparallel magnetizations, carriers
with both spin directions are reflected at the junction. Bottom: magnetic field dependent magnetoresistance –at 10K- of a Au/BiMnO3/(LaSr)MnO3
junction. Spin filtering effect is well visible.
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MAGNETIC MATERIALS AND APPLICATIOS GROUP
135
(d) Quantum effects on electronic transport.
(I) Evidence of low-temperature quantum effects on the transport properties in strongly correlated
metallic oxides. Examples are provided for SrRuO3 and LaNiO3.
(II) Tailoring of carriers mean free path in nanometric epitaxial oxides by growth conditions or
artificially generated.
(e) Magnetooptics. A new experimental setup.
(I) We have set-up a new experimental facility to measure the magnetooptic response using Kerr
effect. It has been already used to determine the magnetic anisotropy of manganite and SrRuO3
thin films (Fig. 2).
(f) Nanodevices for spin manipulation. This includes:
(I) Development of fully polarized spin sources. We have shown that magnetic junction using
a ferromagnetic and insulating barrier can be used to spin-filter carriers tunneling across
(Fig. 2).
NEW PHENOMENA IN STRONGLY CORRELATED MATERIALS
Another group of activities were articulated around three chief objectives. The first related with
phase separation in oxides. Combining advanced synchrotron and neutron diffraction techniques,
we have studied in detail the structural and magnetic nature of segregated phases and different
phenomena like (I) the occurrence of persistent magnetoresistive memory in (La,Pr)5/8Ca3/8MnO3
compounds, or (II) resistivity avalanches under magnetic field in manganites like Pr0.50Ca0.50Mn1xMxO3 (M: Ni, Ti, Co,..). A second research line was centered on strongly correlated Co oxides, one
of the most scientifically appealing areas in the scope of oxides with unconventional properties.
Several investigations were performed in the family of layered cobaltites LnBaCo2O5+␦. Spin state
order and spin state transitions giving rise to electron localization due “spin blockade” were studied
for different lanthanides and vacancy concentrations (Fig. 3). Other studies revealed that oxygen
ions can diffuse through the lattice from relatively low temperatures making these compounds
also interesting for applications in fuel cell technologies. A third goal was to investigate charge
and orbital order phenomena. X-ray resonant scattering experiments on Bi-based single-crystal
manganites confirmed the failure of the ionic description and established a low degree of charge
disproportionation in two types of Mn atoms with different local geometrical structures.
Figure 3. Orbital arrangement and successive magnetic ordering in the spin-state ordered phase of PrBaCo2O5.50 below the metal-insulator
transition. Arrows indicate the direction of the main component of magnetic moment (IS in pyramids and LS in octahedra). The effect of
misplaced oxygen vacancy is also shown.
– F. Sánchez, U. Lüders, G. Herranz, I.C. Infante, J. Fontcuberta, M.V. García-Cuenca, C. Ferrater
and M. Varela, “Self-organization in complex oxide thin films: From 2-D to 0-D nanostructures of
SrRuO3 and CoCr2O4”, Nanotechnology 16, (2005), S190
– M. Gajek, M. Bibes, A. Barthélémy, M. Varela, A. Fert and J. Fontcuberta, “Spin filtering using
BiMnO3 ferromagnetic tunel barriers”, Phys. Rev. B 72, (2005), 020406 (R)
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– B. Martínez, F. Sandiumengue, Ll. Balcells, J. Arbiol, F. Sibieude and C. Monty, “Role of the
microstructure on the magnetic properties of Co-doped ZnO nanoparticles”, Appl. Phys. Lett. 86,
(2005), 103113
– Ll. Abad, B. Martínez and Ll. Balcells, “Surface behavior of La2/3Ca1/3MnO3 epitaxial thin films”,
Appl. Phys. Lett. 87, (2005), 212502
– J.L. García-Muñoz, C. Frontera, M. Respaud, M. Giot, C. Ritter and X.G. Capdevila, “Unconventional
magnetic properties of Bi0.75Sr0.25MnO3 (x~2/8, TCO=600K): ferromagnetism and charge order”,
Phys. Rev. B 72, (2005), 054432
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137
SUPERCONDUCTIG MATERIALS GROUP
2. Superconducting materials group
Personnel
Prof. Xavier Obradors
Dr. Salvador Piñol
Dr. Teresa Puig
Dr. Xavier Granados
Research Professor
Research Scientist
Research Scientist
Tenured Scientist
Senior Engineer
Dr. Alberto Pomar
Dr. Elena Bartolome
Mrs. Stephanie Morlens
Mrs. Awattef Hassini
Mrs. Neus Romà
Mrs. Patricia Alvarez
Research Engineer
Mr. Oscar Castaño
Mr. David Martínez
Mr. Andrea Cavallaro
Mrs. Simona Iliescu
Mr. Bernat Bozzo
Mr. Jaume Gázquez
Mrs. Anna Palau
Mr. Adrián Carretero
Mr. Joffre Gutiérrez
Mrs. Anna Llordes
Mr. César Moreno
Mr. Fernando Martínez
Mrs. Katerina Zalamova
Mrs. Mariona Coll
Mrs. Marta Gibert
Mrs. Patricia Abellán
Mr. Roberto Fabián Luccas
Mr. Roberto Fernández
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
PhD Student
Equipment
Common with Magnetic Materials Laboratory
Research Progress
The goals of the research developed by the group have been broadened in the last two years. From
an integrated research in superconducting materials the group has also diverted to several aspects
of Nanoscience and Nanotechnology, particularly those related to the use of Chemical Solution
Deposition (CSD) as a tool for preparing large scale nanostructured functional materials.
To widen its own objectives the group has now an interdepartmental character within ICMAB,
including members from the Laboratory of Catalysis (Dr. S. Ricart and J.M. Moretó) and having a
strong link with members from the Electronic Materials Dept. (Dr. N. Mestres). The broadened
expertise of the group has allowed to initiate national and EU research projects where CSD was
used to develop advanced nanostructured functional materials. Particularly we can mention the
coordination of the EU project “High performance nanostructured coated conductors by chemical
processing“. Also new projects within the scope of the national Strategic Action “Nanoscience and
Nanotechnology” (NANOFUNCIONA) and the CSIC project CANNAMUS. The national and international
collaborations established through these many projects are very broad: Leibniz Inst. of Dresden,
Univ. of Göttingen and Nexans Superconductors (Germany), Univ. of Cambridge (U.K.), Oak Ridge
and Los Alamos National Laboratories and Univ. of Madison (USA), Centro Atómico de Bariloche
(Argentina) and Univ. Catholique de Louvain (Belgium).
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Main research activities
The overall diverse activities of the group can be summarized under three categories described
here separately, though an intense interrelationship exist between them.
Preparation of high performance superconducting materials and conductors.
The preparation of superconducting materials with high performances for power applications
continues to be the highest priority of the group. While in the past bulk textured ceramics were
the main priority, at present multilayered films and conductors prepared by Chemical Solution
Deposition (CSD) methods absorbs the main effort of the group.
New multilayered conductor architectures fully based on CSD were obtained after clarifying how
high quality oxide cap layers can be grown with atomic scale surface planarity and thus allowing
to achieve high critical current YBa2Cu3O7 (YBCO) layers. Several oxides were grown within the
scope of these new architectures, i.e. CeO2, SrTiO3, BaZrO3 and La1-xSrxMnO3, and their suitability
of combination with several types of metallic substrates was analyzed. For instance, the first all
chemical conductor based on IBAD-type oxide coated stainless steel substrates, provided by Univ.
of Gottingen, with a critical current density was demonstrated. Understanding and optimizing the
Trifluoroacetate route to epitaxial YBCO film growth had the highest priority within this period.
Purified metal-organic precursors, a shortened pyrolysis process and modified precursors were
the result of this effort. Additionally, the complex microstructural modifications associated to the
reaction path of YBCO were clarified by TEM studies, together with a detailed determination of the
interrelationship of the different processing parameters on the final superconducting performances
of the conductors. Two patents related to these developments were filed.
Figure 1. (a) and (b) CeO2 buffer layers grown on a YSZ single crystal substrate. Figure (a) displays a C-EELS mapping superposed to the
corresponding disordered nanocrystalline lattice where it is seen that C impurities are accumulated at the grain boundaries and hinder
the epitaxy development; Figure (b) shows the atomically flat surface of (00l) grains achieved when the C impurities are eliminated. Inset
shows an AFM image where the flat grains are discerned. (c) Cross section TEM image of an epitaxial YBCO thin film grown from
Trifluoroacetate precursors. The formation of stacking faults far from the interface can be detected.
Large scale preparation and assembling of nanostructures and nanostructured materials
This is a new research line which has as the main purpose to establish new methodologies of
generating nanostructures and nanocomposite materials based on self-assembling or on
nanotemplates behaving as nanoreactors. Both approaches have as distinctive feature that they
are prone of being used at large scale or in long length production. We are particularly interested,
however, in achieving nanostructured YBCO superconductors with enhanced vortex pinning induced
by embedded nanoobjects or associated defects. As a first step towards interfacial nanostructures,
YBCO films were prepared and their instability as heteroepitaxial films was demonstrated to be
enhanced by the interfacial stress. Self-assembling of oxide nanodots, created following the VolmerWeber growth mechanism, was achieved from deposition of diluted chemical solutions by manipulating
their interfacial stress with single crystal substrates. Controlling the nucleation, kinetics and
achieving self-organized motifs has been the pursued goal. Oxides such as BaZrO3 and CeO2 have
been used as model systems and it is intended to extend the methodology to many other functional
oxides. In any case the compatibility of these nanostructures with YBCO film growth has already
been demonstrated.
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SUPERCONDUCTIG MATERIALS GROUP
139
The nanostructuration approach based on nanotemplates was initiated using self-assembled
Anodized Aluminium Oxide (AAO) and Track Etched polymeric membranes. As a model system the
metallic-ferromagnetic oxide LSMO was selected. Defining the optimal solution rheology, the filling
methodology and the heat treatment compatibilities for the different templates was the main goal
in the initial stage of this research. LSMO nanotubes with variable wall thickness and crystallinity
have been achieved thus demonstrating the suitability of the methodology as a bottom-up approach
to production of nanostructures.
Figure 2. Nanostructures grown from Chemical Solutions: (a) Nanotubes of La1-xSrxMnO3 grown on a Ion Track Etched polymeric nanotemplate
deposited on a SrTiO3 single crystal substrate. Inset: TEM image of a nanotube grown on an Anodized Aluminum Oxide self-organized
nanotemplate; (b) and (c) Self-organized nanodots of BaZrO3 grown on vicinal SrTiO3 single crystal substrates through controlled interfacial
stress. Note that the nanodots can grow either on terraces or in the lattice steps but some tendency to prefer the lattice steps has been
found.
Materials superconducting properties in relationship with microstructures
The complex superconducting properties of inhomogeneous materials such as YBCO coated
conductors or composite melt textured ceramics with different shapes and nanostructures have
focused a great deal of interest from the group. The use of a new inductive methodology to determine
simultaneously the intergranular and intragranular critical currents in granular conductors has
become very effectively used to investigate fundamental microstructural issues of these materials,
such as the texture quality, film thickness, porosity, etc. The originality of the technique has allowed
the group to become involved in the Superconductivity initiative of the Department of Energy (USA)
through collaboration with the Oak Ridge National Laboratory. Also the complex behaviour of
magnetic flux and percolative currents of several types of real superconducting systems were
investigated by ac susceptibility and Hall probe magnetic imaging measurements: granular coated
conductors, single crystalline bulk foams and finite shaped rings and artificially welded ceramics
were investigated and modelled, in collaboration with the Superconductivity group from the Univ.
Autònoma de Barcelona. The progress in understanding the behaviour of grain boundaries is
allowing at present to focus the interest in vortex pinning issues by natural and artificial nanoscale
Figure 3. (a) Calculated current distribution in a ceramic with a reduced intergrain current density simulating a grain boundary; (b) ac
susceptibility of a granular coated conductor as a function of Temperature and ac magnetic field amplitude allowing to detect the
supercurrent percolation paths; (c) Enhanced critical current density in a YBCO film grown from TFA precursors when the surface roughness
of the CeO2 oxide buffer layer is reduced, as shown in the AFM image of the inset.
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defects. Finally, the group has contributed during the present period a new fundamental contribution
to the physics of type II superconductors: the discovery of an universal magnetic field line where
the line energy of the vortices is lost which marks an upper limit to the Irreversibility line. This
work has appeared in Nature Physics during 2006.
– A. Palau, T. Puig, X. Obradors, E. Pardo, C. Navau, A. Sanchez, A. Usoskin, H.C. Freyhardt, L.
Fernández, B. Holzapfel and R. Feenstra, “Simultaneous inductive determination of grain and
inter-grain critical current densities of YBa2Cu3O7-x coated conductors”, Appl. Phys. Lett. 84, (2004),
230
– F. Sandiumenge, A. Cavallaro, J. Gázquez, T. Puig, X. Obradors, J. Arbiol and H.C. Freyhardt,
“Granular to epitaxial evolution of CeO2 films deposited from chemical solutions”, Nanotechnology
16, (2005), 1809
– X. Obradors, T. Puig, A. Pomar, F. Sandiumenge and N. Mestres, “Growth and microstructure of
high critical current YBCO thin films based on Trifluoroacetate metal-organic precursors” in “HTS
Thin films, their processing and properties”, Series Studies of High Temperature Superconductors,
A.V. Narlikar eds., New York: Nova Science Publishers, vol 49, (2005), 79
– E. Bartolomé, X. Granados, A. Palau, T. Puig, X. Obradors, C. Navau, E. Pardo, A. Sánchez and H.
Claus, “Magnetization and critical current of finite superconducting YBa2Cu3O7 rings”, Phys. Rev.
B 72, (2005), 024523
– X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, S. Piñol, N. Mestres, O. Castaño, M. Coll, A.
Rossell and G. van Tendeloo, “Solution chemistry: a path towards low cost coated conductors”,
Supercond. Sci. Tech. 17, (2004), 1055
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IV
Publications
142
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IV. PUBLICATIONS
Articles in journals, 2004
A. Theoretical physics
1.
J. Maultzsch, S. Reich, C. Thomsen, H. Requardt and P. Ordejón
Phonon dispersion in graphite
2.
C.-C. Fu, F. Willaime and P. Ordejón
Stability and mobility of mono- and di-interstitials in ∝ -Fe
3.
R. Rousseau, M. Gener and E. Canadell
Step-by-step construction of the electronic structure of molecular conductors: Conceptual
aspects and applications
Advanced Functional Materials, 14 (3), (2004), pp. 201-214
4.
SAFT Modelling of the solubity of gases in perfluoroalkanes
5.
X. Blase and P. Ordejón
Dynamical screening and absorption within a strictly localized basis implementation of
time-dependent LDA: From small clusters and molecules to aza-fullerenes
6.
R. Atta-Fynn, P. Biswas, P. Ordejón and D.A. Drabold
Systematic study of electrón localization in an amorphous semiconductor
7.
R. Rurali, E. Hernández, P. Godignon, J. Rebollo and P. Ordejón
First-principles studies of the diffusion of B impurities and vacancies in SiC
8.
M. Kaczmarski, R. Rurali and E. Hernández
Reversible scaling simulations of the melting transition in silicon
9.
F. El-Mellouhi, N. Mousseau and P. Ordejón
Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical
calculations
10.
C. Herdes, J.C. Pàmies, R.M. Marcos and L.F. Vega
Thermodynamic properties and aggregate formation of surfactant-like molecules from theory
and simulation
Journal of Chemical Physics, 120 (20), (2004), pp. 9822-9830
11.
D. Duque and L.F. Vega
Some issues on the calculation of interfacial properties by molecular simulation
12.
F. Llovell, J.C. Pàmies and L.F. Vega
Thermodynamic properties of Lennard-Jones chain molecules: Renormalization-group
corrections to a modified statistical associating fluid theory
and chemistry:
Modelling and
simulation of materials
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B. Magnetic materials
143
13.
D. Duque, J.C. Pàmies and L.F. Vega
Interfacial properties of Lennard-Jones chains by direct simulation and density gradient
theory
14.
D. Sánchez-Portal, P. Ordejón and E. Canadell
Computing the properties of materials from first principles with SIESTA
Structure and Bonding, 113, (2004), pp. 103-170
15.
P. Jensen, X. Blase and P. Ordejón
First principles study of gold absorption and diffusion on graphite
Surface Science, 564, (2004), pp. 173-178
16.
M.S. Craig, M.C. Warren, M.T. Dove, J.D. Gale, D. Sánchez-Portal, P. Ordejón, J.M. Soler and
E. Artacho
Simulations of minerals using density-functional theory based on atomic orbitals for linear
scaling
Physics and Chemistry of Minerals, 31, (2004), pp. 12-21
17.
S. Adams, O. Moretzki and E. Canadell
Global instability index optimizations for the localization of mobile protons
Solid State Ionics, 168, (2004), pp. 281-290
18.
D.A. Scherlis, Y.J. Lee, C. Rovira, S. Adams, R.M. Nieminen, P. Ordejón and E. Canadell
Concerning the origin of superstructures in hydrogen molybdenum bronzes HxMoO3
19.
E. Canadell, M. Almeida and J. Brooks
Electronic band structure of ∝ -(Per)2M(mnt)2 compounds
The European Physical Journal B, 42, (2004), pp. 453-456
20.
A.M.A. Dias, A.I. Caço, J.A.P. Coutinho, L.M.N.B.F. Santos, M.M. Piñeiro, L.F. Vega, M.F. Costa
Gomes and I.M. Marrucho
Thermodynamic properties of perfluoro-n-octane
Fluid Phase Equilibria, 225, (2004), pp. 39-47
21.
M.S. Dresselhaus, G. Dresselhaus, J.C. Charlier and E. Hernández
Electronic, thermal and mechanical properties of carbon nanotubes
Philosophical Transactions of the Royal Society of London Series A-Mathematical Physical
and Engineering Sciences, 362, (2004), pp. 2065-2098
22.
E. Hernández and B.I. Yakobson (Reviewers)
Review of Carbon nanotubes and related structures: New materials for the twenty-first century
American Journal of Physics, 72 (3), (2004), pp. 415
23.
V. Laukhin, B. Martínez, J. Fontcuberta, D.B. Amabilino, M. Minguet and J. Veciana
Pressure effect on the 3-D magnetic ordering of a quasi-1-D enantiopure molecular magnet
24.
C. Frontera and J. Fontcuberta
Configurational disorder and magnetism in double perovskites: A Monte Carlo simulation
study
144
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IV. PUBLICATIONS
25.
N. Domingo, B.E. Williamson, J. Gómez-Segura, Ph. Gerbier, D. Ruiz-Molina, D.B. Amabilino,
J. Veciana and J. Tejada
Magnetism of isolated Mn12 single-molecule magnets detected by magnetic circular dichroism:
Observation of spin tunneling with a magneto-optical technique
26.
M. Wójcik, E. Je,dryka, S. Nadolski, J. Navarro, D. Rubi and J. Fontcuberta
NMR evidence for selective enhancement of Mo magnetic moment by electron doping in
Sr2-xLaxFeMoO6
27.
J. Navarro, J. Fontcuberta, M. Izquierdo, J. Ávila and M.C. Asensio
Curie-temperature enhancement of electron-doped Sr2FeMoO6 perovskites studied by
photoemission spectroscopy
28.
A. Audouard, V.N. Laukhin, L. Brossard, T.G. Prokhorova, E.B. Yagubskii and E. Canadell
Combination frequencies of magnetic oscillations in ‚␤’’-(BEDT-TTF)4(NH4)[Fe(C2O4)3]·DMF
29.
A. Slawska-Waniewska, A. Roig, M. Gich, Ll. Casas, K. Racka, N. Nedelko and E. Molins
Effect of surface modifications on magnetic coupling in Fe nanoparticle systems
30.
J. Navarro, J. Fontcuberta, M. Izquierdo, J. Avila and M.C. Asensio
Probing Mo core valence on Sr2FeMoO6 half-metallic ferromagnets and their electron-doped
derivative compounds by photoelectron spectroscopy
31.
D. Rubi, C. Frontera, J. Fontcuberta, M. Wojcik, E. Jedryka and C. Ritter
Ferromagnetic coupling in NdxCa2-xFeMoO6 double perovskites: Dominant band-filling effects
32.
C. Frontera, J.L. García-Muñoz, A.E. Carrillo, C. Ritter, D. Martín y Marero and A. Caneiro
Structural and magnetic study of PrBaCo2O5+␦ (␦=0.75) cobaltite
33.
D. Rubi, C. Frontera, G. Herranz, J.L. García-Muñoz, J. Fontcuberta and C. Ritter
Band filling versus bond bending in substituted LxSr2-xFeMoO6 (L= Ca, La, Nd) compounds
Journal of Applied Physics, 95 (11), (2004), pp. 7082-7084
34.
G. Herranz, F. Sánchez, B. Martínez, J. Fontcuberta, M.V. García Cuenca, C. Ferrater and M.
Varela
Self-interference of charge carriers in ferromagnetic SrRuO3
Journal of Applied Physics, 95 (11), (2004), pp. 7213-7215
35.
D. Rubi, C. Frontera, J. Nogués and J. Fontcuberta
Enhanced ferromagnetic interactions in electron-doped NdxSr2-xFeMoO6 double perovski-tes
Journal of Physics: Condensed Matter, 16, (2004), pp. 3173-3182
36.
G. Herranz, F. Sánchez, B. Martínez, J. Fontcuberta, M.V. García Cuenca, C. Ferrater, M. Varela
and P. Levy
Weak localization effects in some metallic perovskites
The European Physical Journal B, 40, (2004), pp. 439-444
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145
37.
V. Laukhin, Ll. Abad, B. Martínez, J. Fontcuberta, O. Gorbenko and A. Kaul
Transverse resistance measurements: A very sensitive probe to charge inhomogeneities in
manganites
Journal of Physics D: Applied Physics, 37, (2004), pp. 3145-3150
38.
G. Herranz, F. Sánchez, B. Martínez, J. Fontcuberta, M.V. García Cuenca, C. Ferrater and M.
Varela
Relevance of the 3D to 2D growth mode transition for the transport properties of nanometric
SrRuO3 films
Materials Science and Engineering B, 109, (2004), pp. 221-225
39.
G. Herranz, F. Sánchez, M.V. García-Cuenca, C. Ferrater, M. Varela, B. Martínez and J.
Fontcuberta
Anisotropic magnetoresistance in SrRuO3 ferromagnetic oxide
Journal of Magnetism and Magnetic Materials, 272-276, (2004), pp. 517-518
40.
C. Ritter, D. Rubí, J. Navarro, C. Frontera, J.L. Garcia-Muñoz and J. Fontcuberta
Magnetisation and neutron diffraction studies on Sr2-xCaxFeMoO6
41.
F. Torres, J.M. Hernández, A. García-Santiago, J. Tejada and E. Molins
Experimental evidence of the dependence of spin tunnelling on the concentration of dislocations
in Mn12 crystals
42.
L.K. Varga, A. Slawska-Waniewska, A. Roig, K. Racka, E. Fazakas, J. Ferenc and T. Kulik
Microstructure and magnetic properties of Fe81P13Si2Nb3Cu1 nanocrystalline alloy
43.
C. Frontera, J.L. García-Muñoz, A.E. Carrillo, M. Hervieu, C. Martin, A. Llobet, A. Calleja, X.G.
Capdevila and C. Ritter
Magnetism of Bi0.75Sr0.25MnO3 and its dependence on bismuth concentration
44.
J.L. García-Muñoz, C. Frontera, A. Llobet, A.E. Carrillo, A. Caneiro, M.A.G. Aranda, M. Respaud,
C. Ritter and E. Dooryee
Magnetic and electronic properties of the oxygen-deficient PrBaCo2O5+␦ (␦ > 0.50)
45.
M. Wójcik, E. Je,dryka, S. Nadolski, J. Navarro and J. Fontcuberta
Mo-Fe antisite defects in Sr2FeMoO6 studied by NMR
46.
J.I. Arnaudas, M. Ciria, L. Benito, C. de la Fuente, M.R. Ibarra, A. del Moral, M. Bibes, Ll.
Balcells and J. Fontcuberta
Measuring the magnetoelastic anisotropy constant in manganite epitaxial thin films
47.
R.D. Zysler, J. Tejada and E. Molins
Electron spin resonance measurements in CoFe2O4 free rotor nanoparticles
Journal of Magnetism and Magnetic Materials, 272-276, (2004), pp. e1191-e1192
48.
J. Marcos, Ll. Mañosa, A. Planes, F. Casanova, X. Batlle, A. Labarta and B. Martínez
Magnetic field induced entropy change and magnetoelasticity in Ni-Mn-Ga alloys
Journal of Magnetism and Magnetic Materials, 272-276, (2004), pp. e1595-e1596
146
C.- Superconducting
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IV. PUBLICATIONS
49.
M. Respaud, A. Kirste, M. Goiran, J. Vanaken, J.M. Broto, H. Rakoto, A.E. Carrillo, M. Von
Ortenberg, M. Hervieu, C. Frontera and J.L. García-Muñoz
High magnetic field study of charge/polaron ordering in Bi1-xSrxMnO3 (x울0.5) perovskites
Physica B, 346-347, (2004), pp. 70-73
50.
C. Frontera, M. Respaud, J.L. García-Muñoz, A. Llobet, A.E. Carrillo, A. Caneiro and J.M. Broto
High magnetic field study of HoBaCo2O5.5 and GdBaCo2O5.5 layered cobaltites: The effect of
rare earth size
Physica B, 346-347, (2004), pp. 246-249
51.
C. Frontera, J.L. García-Muñoz, A.E. Carrillo, M. Hervieu, A. Calleja, X.G. Capdevila, M.T. Casais
and C. Ritter
Charge and Zener polaron order in Bi0.75Sr0.25MnO3: A comparison with Bi0.75Sr0.25MnO3
Physica B, 350, (2004), pp. 48-50
52.
J.L. García-Muñoz, C. Frontera, A. Llobet, A.E. Carrillo, A. Caneiro, M.A.G. Aranda, C. Ritter
and E. Dooryee
Study of oxygen deficient double perovskite PrBaCo2O5.75
Physica B, 350, (2004), pp. e277-e279
53.
C. Frontera, D. Rubi, J. Navarro, J.L. García-Muñoz, C. Ritter and J. Fontcuberta
Mechanism for Curie temperature variation in LaxSr2-xFeMoO6 and CaxSr2xFeMoO6
Physica B, 350, (2004), pp. e285-e288
54.
J. Fontcuberta, Ll. Balcells, J. Navarro, D. Rubi, B. Martínez, C. Frontera, J.L. García-Muñoz,
M. Lacaba, A.M. González, C. Forniés, A. Calleja and Ll. Aragonés
Magnetoresistive ceramics. Recent progress: From basic understanding to applications
Boletín de la Sociedad Española de Cerámica y Vidrio, 43 (3), (2004), pp. 627-633
55.
J. Peñuelas, J. Lluisá, B. Martínez and J. Fontcuberta
Diamagnetic susceptibility and root growth responses to magnetic fields in Lens culinaris,
Glycine soja, Triticum aestivum
Electromagnetic Biology and Medicine, 23 (2), (2004), pp. 97-112
56.
A. Palau, T. Puig, X. Obradors, E. Pardo, C. Navau, A. Sánchez, A. Usoskin, H.C. Freyhardt, L.
Fernández, B. Holzapfel and R. Feenstra
Simultaneous inductive determination of grain and intergrain critical current densities of
YBa2Cu3O7-x coated conductors
57.
D.-X. Chen, E. Pardo, A. Sánchez, A. Palau, T. Puig and X. Obradors
Comparison of ac susceptibility of YBa2Cu3O7 coated conductors and single crystals
58.
J.C. González, N. Mestres, T. Puig, J. Gázquez, F. Sandiumenge, X. Obradors, A. Usoskin, Ch.
Jooss, H.C. Freyhardt and R. Feenstra
Biaxial texture analysis of Yba2Cu3O7 - coated conductors by micro-Raman spectroscopy
Physical Review B, 70, (2004), pp- 094525-1 - 094525-8
59.
E. Bartolomé, X. Granados, T. Puig, X. Obradors, E.S. Reddy and G. Schmitz
Critical state in superconducting single-crystalline YBa2Cu3O7 foams: Local versus long-range
currents
materials
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147
60.
S. Iliescu, X. Granados, E. Bartolomé, S. Sena, A.E. Carrillo, T. Puig, X. Obradors and J.E. Evetts
High critical current YBa2Cu3O7 artificial joints using Ag foils as welding agent
61.
X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, S. Piñol, N. Mestres, O. Castaño, M. Coll,
A. Cavallaro, A. Palau, J. Gázquez, J.C. González, J. Gutiérrez, N. Romà, S. Ricart, J.M. Moretó,
M.D. Rossell and G. van Tendeloo
Chemical solution deposition: A path towards low cost coated conductors
62.
T. Puig, A. Palau, X. Obradors, E. Pardo, C. Navau, A. Sánchez, Ch. Jooss, K. Guth and H.C.
Freyhardt
The identification of grain boundary networks of distinct critical current density in YBa2Cu3O7x coated conductors
63.
O. Castaño and S. Piñol
Kinetics study of YBCO thin films epitaxic growth on LAO(100) single crystals by the TFAMOD method
64.
K. Zmorayová, P. Diko, M. Sefciková, X. Granados, F. Sandiumenge and X. Obradors
Oscillation of Y2BaCuO5 particle concentration in the melt-grown YBaCuO bulk superconductors
Journal of Crystal Growth, 270, (2004), pp. 685-690
65.
A. Cavallaro, O. Castaño, A. Palau, J.C. González, M.D. Rossell, T. Puig, F. Sandiumenge, N.
Mestres, S. Piñol and X. Obradors
Chemical solution techniques for epitaxial growth of oxide buffer and YBa2Cu3O7 films
Journal of the European Ceramic Society, 24, (2004), pp. 1831-1835
66.
D.M. Bastidas, S. Piñol, J. Plain, T. Puig and X. Obradors
Influence of the mercury source on the synthesis of Hg0.8Re0.2Ba2-ySryCa2Cu3O8+␦ at normal
pressures
Physica C, 403, (2004), pp. 132-138
67.
A. Palau, T. Puig, X. Obradors, A. Usoskin, H. Freyhardt, L. Fernández, B. Holzapfel, R. Feenstra,
A. Sánchez and E. Pardo
Magnetic granularity analysis of YBCO coated conductors
Physica C, 408-410, (2004), pp. 866-868
68.
X. Obradors, T. Puig, A. Pomar, N. Mestres, F. Sandiumenge, S. Piñol, O. Castaño, A. Cavallaro,
A. Palau, J.C. González, M. Coll and J. Gazquez
Chemical solution growth of superconductors: A new path towards high critical current coated
conductors
Physica C, 408-410, (2004), pp. 913-914
69.
A. Corma, F. Rey, J. Rius, M.J. Sabater and S. Valencia
Supramolecular self-assembled molecules as organic directing agent for synthesis of zeolites
Nature, 431, (2004), pp. 287-290
70.
X. Ribas, J.C. Dias, J. Morgado, K. Wurst, M. Almeida, T. Parella, J. Veciana and C. Rovira
Stepwise construction of oligomeric 1,2-diselenolene platinum(IV) complexes
organometallic
materials, and
coordination compounds
148
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IV. PUBLICATIONS
71.
C. Sporer, I. Ratera, D. Ruiz-Molina, Y. Zhao, J. Vidal-Gancedo, K. Wurst, P. Jaitner, K. Clays,
A. Persoons, C. Rovira and J. Veciana
A molecular multiproperty switching array based on the redox behavior of a ferrocenyl
polychlorotriphenylmethyl radical
72.
E. Loste, J. Fraile, M.A. Fanovich, G.F. Woerlee and C. Domingo
Anhydrous supercritical carbon dioxide method for the controlled silanization of inorganic
nanoparticles
73.
R. Llusar, S. Uriel, C. Vicent, J.M. Clemente-Juan, E. Coronado, C.J. Gómez-García, B. Braïda
and E. Canadell
Single-component magnetic conductors based on Mo3S7 trinuclear clusters with outer dithiolate
ligands
74.
F. Bardé, M.-R. Palacín, B. Beaudoin, A. Delahaye-Vidal and J.M. Tarascon
New approaches for synthesizing γ III-CoOOH by soft chemistry
Chemistry of Materials, 16 (2), (2004), pp. 299-306
75.
F. Bardé, M.R. Palacin, Y. Chabre, O. Isnard and J.-M. Tarascon
In situ neutron powder diffraction of a nickel hydroxide electrode
76.
B. Bazán, J.L. Mesa, J.L. Pizarro, J. Rodríguez-Fernández, J. Sánchez-Marcos, A. Roig, E.
Molins, M.I. Arriortua and T. Rojo
Thermal transformation of (NH4)[Fe(AsO4) into the new textural porous orthohombic Fe(AsO4)
phase. Crystal structures, thermal behavior, and spectroscopic and magnetic properties
77.
M. Popovici, M. Gich, D. Nižňanský, A. Roig, C. Savii, Ll. Casas, E. Molins, K. Zaveta, C.
Enache, J. Sort, S. de Brion, G. Chouteau and J. Nogués
Optimized synthesis of the elusive ⑀-Fe2O3 phase via sol-gel chemistry
78.
X. Ribas, J.C. Dias, J. Morgado, K. Wurst, E. Molins, E. Ruiz, M. Almeida, J. Veciana and C.
Rovira
Novel CuIII Bis-1,2-dichalcogenene complexes with tunable ED framework through alkaline
cation coordination: A structural and theoretical study
Chemistry - A European Journal, 10, (2004), pp. 1691-1704
79.
J.J. Lopez, A. Tárraga, A. Espinosa, M.D. Velasco, P. Molina, V. Lloveras, J. Vidal-Gancedo, C.
Rovira, J. Veciana, D.J. Evans and K. Wurst
A new multifunctional ferrocenyl-substituted ferrocenophane derivative: Optical and electronic
properties and Selective Recognition of Mg2+ Ions
80.
S. Ponou, T.F. Fässler, G. Tobías, E. Canadell, A. Cho and S.C. Sevov
Synthesis, characterization, and electronic structure of Ba5In4Bi5: An acentric and one-electron
deficient phase
81.
I. Rojo, F. Teixidor, C. Viñas, R. Kivekäs and R. Sillanpää
Synthesis and coordinating ability of an anionic cobaltabisdicarbollide ligand geometrically
analogous to BINAP
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149
82.
A. Roig, E. Molins, E. Rodríguez, S. Martínez, M. Moreno-Mañas and A. Vallribera
Superhydrophobic silica aerogels by fluorination at the gel stage
83.
N. Casañ-Pastor and P. Gómez-Romero
Polyoxometalates: From inorganic chemistry to materials science
Frontiers in Bioscience, 9, (2004), pp. 1759-1770
84.
M. Arroyo, S. Bernès, J. Cerón, J. Rius and H. Torrens
Insertion reactions of [M(SR)3(PMe2Ph2] with CS2 (M=Ru,Os; R=C6F4H-4,C6F5). X-ray structures
of [Ru(S2CSC6F4H-4)2(PMe2Ph)2], trans-thiolates [M(SR)2(S2CSR)(PMe2Ph)2] (M=Ru; R=C6F5 and
M=Os;R=C6F4H-4), and trans-thiolate-phospine [Os(SC6F5)2(S2CSC6F5)(PMe2Ph)2]
Inorganic Chemistry, 43 (3), (2004), pp. 986-992
85.
S. Curreli, P. Deplano, M.L. Mercuri, L. Pilla, A. Serpe, J.A. Schlueter, M.A. Whited, U. Geiser,
E. Coronado, C.J. Gómez-García and E. Canadell
Synthesis, crystal structure, and physical properties of (BEDT-TTF)[Ni(tdas)2] (BEDT-TTF=Bis
(ethylenedithio)tetrathiafulvalene; tdas=1,2,5-thiadiazole-3,4-dithiolate): First monomeric
[Ni(tdas)2]- monoanion
86.
X. Ribas, J.C. Dias, J. Morgado, K. Wurst, I.C. Santos, M. Almeida, J. Vidal-Gancedo, J. Veciana
and C. Rovira
Alkaline side-coordination strategy for the design of nickel(II) and nickel(III) Bis(1,2-diselenolene)
complex based materials
87.
O. Tutusaus, R. Núñez, C. Viñas, F. Teixidor, I. Mata and E. Molins
5
Synthesis, characterization, and dynamic studies of 12-vertex ␩ -ruthenium(II) closo-phosphine
complexes with monoanionic [10-L-nido-7-R-7,8-C2B9H9] ligands
88.
J. Cabana, C.D. Ling, J. Oró-Solé, D. Gautier, G. Tobias, S. Adams, E. Canadell and M.R.
Palacín
Antifluorite-type lithium chromium oxide nitrides: Synthesis, structure, order, and electrochemical
properties
89.
G. Tobías, D. Beltrán-Porter, O.I. Lebedev, G. Van Tendeloo, J. Rodríguez-Carvajal and A.
Fuertes
Anion ordering and defect structure in Ruddlesden-Popper strontium niobium oxynitrides
90.
E. Coronado, J.R. Galán-Mascarós, C.J. Gómez-García, A. Murcia-Martínez and E. Canadell
A chiral molecular conductor: Synthesis, structure, and physical properties of [ET]3[Sb2(Ltart)2]·CH3CN (ET = bis(ethylendithio)tetrathiafulvalene; L-tart = (2R,3R)-(+)-tartrate)
91.
S. Pérez, C. López, A. Caubet, R. Bosque, X. Solans, M. Font Bardía, A. Roig and E. Molins
2
Novel five-membered pallada- and platinacycles containing a [C(sp , ferrocene), N, S]- terdentate
ligand. Theoretical interpretation of their electrochemical and electronic properties based
on density functional calculations
Organometallics, 23, (2004), pp. 224-236
150
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IV. PUBLICATIONS
92.
R. Núñez, O. Tutusaus, F. Teixidor, C. Viñas, R. Sillanpää and R. Kivekäs
5
5
Formation of new ␩ -rhodium(III) complexes from ␩ -Rh(I) rhodacarborane-containing
charge-compensated ligands
93.
J. Bould, A. Laromaine, C. Viñas, F. Teixidor, L. Barton, N.P. Rath, R.E.K. Winter, R. Kivekäs
and R. Sillanpää
New derivatives of [NHMe3][7-Me-␮-(9,10-HMeC)-nido-7-CB10H10]
94.
M. Popovici, M. Gich, A. Roig, Ll. Casas, E. Molins, C. Savii, D. Becherescu, J. Sort, S.
Suriñach, J.S. Muñoz, M.D. Baró and J. Nogués
Ultroporous single phase iron oxide-silica nanostructured aerogels from ferrous precursors
Langmuir, 20, (2004), pp. 1425-1429
95.
J.L. García-Muñoz, M. Amboage, M. Hanfland, J.A. Alonso, M.J. Martínez-Lope and R. Mortimer
Pressure-induced melting of charge-order in the self-doped Mott insulator YNiO3
96.
D. Maspoch, D. Ruiz-Molina, K. Wurst, J. Vidal-Gancedo, C. Rovira and J. Veciana
Synthesis, structural and magnetic properties of a series of copper(II) complexes containing
a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand
Journal of the Chemical Society-Dalton Transactions, (2004), pp. 1073-1082
97.
J. Giner, C. Viñas, F. Teixidor, M.B. Hursthouse and M.E. Light
Mild mono and double demethylation in dimethylsulfonium substituted ruthenacarborane
complexes. A regioselective reaction
98.
A.S. Batsanov, M.A. Fox, T.G. Hibbert, J.A.K. Howard, R. Kivekäs, A. Laromaine, R. Sillanpää,
C. Viñas and K. Wade
Sulfur, tin and gold derivatives of 1-(2’-pyridyl)-ortho-carborane, 1-R-2-X-1,2-C2B10H10 (R = 2’pyridyl, X = SH, SnMe3 or AuPPh3)
99.
D. Maspoch, D. Ruiz-Molina, K. Wurst, G. Vuaghan, N. Domingo, J. Tejada, C. Rovira and J.
Veciana
Open-shell channel-like salts formed by the supramolecular assembly of a tricarboxylated
2+
perchlorotriphenylmethyl radical and a [Co(bpy)3] cation
CrystEngComm, 6 (93), (2004), pp. 573-578
100. X. Ribas, D. Maspoch, J. Dias, J. Morgado, M. Almeida, K. Wurst, G. Vaughan, J. Veciana and
C. Rovira
2D Layered coordination polymer based on an unusual mixed valence Cu(III)/Cu(I) bis-1,2diselenolene compound
CrystEngComm, 6 (96), (2004), pp. 589-592
101. T. Devic, E. Canadell, P. Auban-Senzier and P. Batail
(EDT-TTF-I2)2 PbI3·H2O: An ambient pressure metal with a ␤’ donor slab topology
Journal of Materials Chemistry, 14, (2004), pp. 135-137
102. D. Maspoch, D. Ruiz-Molina and J. Veciana
Magnetic nanoporous coordination polymers
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151
103. D. de Caro, H. Alves, M. Almeida, S. Caillieux, M. Elgaddari, C. Faulmann, I. Malfant, F. Senocq,
J. Fraxedas, A. Zwick and L. Valade
Conducting oriented [(n-C4H9)4N]2[Ni(dcbdt)2]5 and new (BEDT-TTF)[Ni(dcbdt)2] phases as
mycrocrystalline films, electrodeposited on silicon substrates
104. B. Grüner, J. Bačkovský, R. Sillanpää, R. Kivekäs, I. Císařová, F. Teixidor, C. Viñas and B. Stíbr
Amino-substituted ferra-bis(tricarbollides) - metallatricarbaboranes designed for linear
molecular constructions
European Journal of Inorganic Chemistry, (2004), pp. 1402-1410
105. N. Avarvari, M. Fourmigué and E. Canadell
Electron-rich organoantimony(III) dithiolate complexes
106. J.A. Asensio, S. Borrós and P. Gómez-Romero
Polymer electrolyte fuel cells based on phosphoric acid-impregnated poly(2,5-benzimidazole)
membranes
Journal of the Electrochemical Society, 151 (2), (2004), pp. A304-A310
107. A. Terrón, A. García-Raso, J.J. Fiol, S. Amengual, M. Barceló-Oliver, R.M. Tótaro, M.C. Apella,
E. Molins and I. Mata
Uracilato and 5-halouracilato complexes of Cu(II), Zn(II) and Ni(II). X-ray structures of
1
1
[Cu(uracilato-N )2(NH3)2]·2(H2O], [Cu(5-chlorouracilato-N )2(NH3)2](H2O)2, [Ni(5-chlorouracilato1
1
1
N )2(en)2]·2H2O and [Zn(5-chlorouracilato-N )(NH3)3]·(5-chlorouracilato-N )·(H2O)
Journal of Inorganic Biochemistry, 98, (2004), pp. 632-638
108. M. Barceló-Oliver, A. Terrón, A. García-Raso, J.J. Fiol, E. Molins and C. Miravitlles
Ternary complexes metal [Co(II), Ni(II), Cu(II) and Zn(II) ] – ortho-iodohippurate (I-hip) – acyclovir.
X-ray characterization of isostructural [(Co, Ni or Zn)(I-hip)2(ACV)(H2O)3] with stacking as a
recognition factor
Journal of Inorganic Biochemistry, 98, (2004), pp. 1703-1711
109. M. Casas-Cabanas, J.C. Hernández, V. Gil, M.L. Soria and M.R. Palacín
On the key importance of homogeneity in the electrochemical performance of industrial
positive active materials in nickel batteries
Journal of Power Sources, 134, (2004), pp. 298-307
Proton-conducting membranes based on poly(2,5-benzimidazole) (ABPBI) and phosphoric
acid prepared by direct acid casting
Journal of Membrane Science, 241, (2004), pp. 89-93
Sulfonated poly(2,5-benzimidazole) (SABPBI) impregnated with phosphoric acid as a proton
conducting membranes for polymer electrolyte fuel cells
Electrochimica Acta, 49 (25), 2004, pp. 4461-4466
112. G. Sánchez, J. García, D.J. Meseguer, J.L. Serrano, J. Pérez, E. Molins and G. López
Organometallic nickel (II) complexes with dithiophosphate, dithiophosphonate and
monothiophosphonate ligands
Inorganica Chimica Acta, 357, (2004), pp. 677-683
152
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IV. PUBLICATIONS
113. J. Pons, R. March, J. Rius and J. Ros
Zinc complexes of 6-methyl-2-pyridinecarboxylic
[Zn(MeC5H3NCOO)2(H2O)]·H2O
Inorganica Chimica Acta, 357, (2004), pp. 3789-3792
acid.
Crystal
structure
of
114. L. Fernández-Carrasco and J. Rius
Crystal structure solution of the low and high temperature forms of potasium dawsonite: An
intermediate compound in the alkaline hydrolysis of calcium aluminate cements
Acta Crystallographica A, 60, (2004) pp. s231
115. L. Suber, S. Foglia, D. Fiorani, H. Romero, A. Montone, A. Roig and Ll. Casas
Synthesis, morphological-structural characterization and magnetic properties of amorphous
iron (III)-oxyhydroxy-phosphate nanoparticles
Journal of Solid State Chemistry, 177, (2004), pp. 2440-2448
116. M. Casas-Cabanas, J.C. Hernández, V. Gil, M.L. Soria and M.R. Palacín
Rationalization of the industrial nickel hydroxide synthetic process in view of optimizing its
electrochemical performances
Industrial & Engineering Chemistry Research, 43, (2004), pp. 4957-4963
117. A.D. Dubrovskii, N.G. Spitsina, A.N. Chekhlov, O.A. Dyachenko, L.I. Buravov, A.A. Lobach, J.
Vidal-Gancedo and C. Rovira
Synthesis, crystal structure and properties of the new semiconductor (EVT)4·[Pt(CN)4]
Synthetic Metals, 140, (2004), pp. 171-176
118. O. Kazheva, E. Canadell, L. Kushch, G. Aleksandrov, A. Chekhlov, L. Buravov and O. Dyachenko
New molecular conductors based on EDT with anionic complexes of rare-earth elements:
(EDT)2[Ho(NCS)4(H2O)4] and (EDT)3[Y(NO3)5]
119. S. Piñol, M. Najib, D.M. Bastidas, A. Calleja, X.G. Capdevila, M. Segarra, F. Espiell, J.C.
Ruiz-Morales, D. Marrero-Lopez and P. Nuñez
Microstructure-conductivity relationship in Gd- and Sm-doped ceria-based electrolytes prepared
by the acrylamide sol-gel related method
Journal of Solid State Electrochemistry, 8, (2004), pp. 650-654
120. J. Rius, E. Elkaim and X. Torrelles
Structure determination of the blue mineral pigment aerinite from synchrotron powder
diffraction data: The solution of an old riddle
European Journal of Mineralogy, 16, (2004), pp. 127-134
121. D. Ruiz-Molina, L.N. Zakharov, A.L. Rheingold and D.N. Hendrickson
III
Synthesis, X-ray structure and magnetic properties of the quinone cobalt complexes [Co
44(3,5-DTBSQ)(bpy)2]X2 (X-= BF , ClO )
Journal of Physics and Chemistry of Solids, 65, (2004), pp. 831-837
122. F. Bardé, M.R. Palacin, Y. Chabre, O. Isnard and J.-M. Tarascon
In situ neutron diffraction study of the nickel oxihydroxide electrode upon discharge
Physica B, 350, (2004), pp. e431-e434
123. A. Laromaine, C. Viñas, R. Sillanpää and R. Kivekäs
1,2-Bis(methylsulfanyl)-1,2-dicarba-closo-dodecaborane(12)
Acta Crystallographica C, 60, (2004), pp. 524-526
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153
124. E.T. Gomez, T. Sanfeliu, M.M. Jordan, J. Rius and C. de la Fuente
Geochemical characteristics of particulate matter in the atmosphere surrounding a ceramic
industrialized area
Environmental Geology, 45 (4), (2004), pp. 536-543
125. R. Shibaeva, S. Khasanov, L. Zorina, S. Simonov, I. Shevyakova, L. Kushch, L. Buravov, E.
Yagubskii, S. Baudron, C. Mézière, P. Batail, E. Canadell and J. Yamada
2Exploitation of the photochromic nitroprusside anion [FeNO(CN)5] As counterion for constructing
molecular conductors: The first radical cation salts based on BDH-TTP and the amide
functionalized derivatives of EDT-TTF
Journal de Physique IV, 114, (2004), pp. 481-485
126. J.C. Dias, E.B. Lopes, I.C. Santos, M.T. Duarte, R.T. Henriques, M. Almeida, X. Ribas, C.
Rovira, J. Veciana, P. Foury-Leylekian, J.-P. Pouget, P. Auban-Senzier and D. Jérome
Structural and electrical properties of (DT-TTF)2[Cu(mnt)2]
127. E.B. Lopes, J.C. Dias, J.P. Seiça, I.C. Santos, J. Morgado, R.T. Henriques, M. Almeida, X.
Ribas, K. Wurst, J. Veciana and C. Rovira
The low and high temperature phase transitions in the family of compounds(DT-TTF)4[M(L)2]3,
M = Au, Cu and L = pds, pdt
128. E. Tejada-Rosales, N. Casañ-Pastor and P. Gómez-Romero
Oxidación electroquimica de plata y cobre en medio acuoso básico y en hidróxidos fundidos
129. J.A. García, J. Rius and R.J. Rodriguez
Estudio por GXRD de la formación de fases en metales de los grupos IV y V por implantación
iónica de nitrógeno
130. A.K. Cuentas-Gallegos, R. Vijayaraghavan, M. Lira-Cantú, N. Casañ-Pastor and P. GómezRomero
Materiales híbridos basados en fosfato de vanadilo y polímeros conductores como cátodos
en baterías reversibles de litio
E.- Organic materials
131. C. Rovira
Bis(ethylenethio)tetrathiafulvalene (BET-TTF) and related dissymmetrical electron donors:
From the molecule to functional molecular materials and devices (OFETs)
Chemical Reviews, 104, (2004), pp. 5289-5317
132. D. Maspoch, N. Domingo, D. Ruiz-Molina, K. Wurst, G. Vaughan, J. Tejada, C. Rovira and J.
Veciana
A robust purely organic nanoporous magnet
133. D. Maspoch, N. Domingo, D. Ruiz-Molina, K. Wurst, J. Tejada, C. Rovira and J. Veciana
A robust nanocontainer based on a pure organic free radical
154
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IV. PUBLICATIONS
134. M. Mas-Torrent, M. Durkut, P. Hadley, X. Ribas and C. Rovira
High mobility of dithiophene-tetrathiafulvalene single-crystal organic field effect transistor
135. S.T. Bromley, M. Mas-Torrent, P. Hadley and C. Rovira
Importance of intermolecular interactions in assessing hopping mobilities in organic field
effect transistors: Pentacene versus dithiophene-tetrathiafulvalene
136. M. Mas-Torrent, P. Hadley, S.T. Bromley, X. Ribas, J. Tarrés, M. Mas, E. Molins, J. Veciana and
C. Rovira
Correlation between crystal structure and mobility in organic field-effect transistors based
on single crystals of tetrathiafulvalene derivatives
137. I. Shevyakova, L. Buravov, V. Tkacheva, L. Zorina, S. Khasanov, S. Simonov, J. Yamada, E.
Canadell, R. Shibaeva and E. Yagubskii
New organic metals based on BDH-TTP radical cation salts with the photochromic nitroprusside
2anion [FeNO(CN)5]
Advanced Functional Materials, 14 (7), (2004), pp. 660-668
138. E. Laukhina, V. Tkacheva, A. Chekhlov, E. Yagubskii, R. Wojciechowski, J. Ulanski, J. VidalGancedo, J. Veciana, V. Laukhin and C. Rovira
Polymorphism of a new bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) based molecular
conductor; novel transformations in metallic BEDT-TTF layers
139. I. Ratera, D. Ruiz-Molina, J. Vidal-Gancedo, J.J. Novoa, K. Wurst, J.-F. Letard, C. Rovira and
J. Veciana
Supramolecular photomagnetic materials: Photoinduced dimerization of ferrocene-based
polychlorotriphenylmethyl radicals
140. C. Sporer, H. Heise, K. Wurst, D. Ruiz-Molina, H. Kopacka, P. Jaitner, F. Köhler, J.J. Novoa and
J. Veciana
Magneto-structural characterization of metallocene-bridged nitronyl nitroxide diradicals by
X-ray, magnetic measurements, solid-state NMR spectroscopy, and Ab initio calculations
141. S.A. Baudron, N. Avarvari, E. Canadell, P. Auban-Senzier and P. Batail
Structural isomerism in crystals of redox-active secondary ortho-diamides: The role of
competing interfacial intra- and intermolecular hydrogen bonds in directing crystalline topologies
142. H. Akutsu, A. Akutsu-Sato, S.S. Turner, P. Day, E. Canadell, S. Firth, R.J.H. Clark, J. Yamada
and S. Nakatsuji
Superstructures of donor packing arrangements in a series of molecular charge transfer
salts
143. D. Maspoch, D. Ruiz-Molina, K. Wurst, C. Rovira and J. Veciana
3
9
1
A new (6 )·(6 .8 ) non-interpenetrated paramagnetic network with helical nanochannels based
on a tricarboxylic perchlorotriphenylmethyl radical
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155
144. M. Amat, M. Pérez, N. Llor, M. Martinelli, E. Molins and J. Bosch
Enantioselective formal synthesis of uleine alkaloids from phenylglycinol-derived bicyclic lactams
145. F. Dumur, N. Gautier, N. Gallego-Planas, Y. Sahin, E. Levillain, N. Mercier, P. Hudhomme, M.
Masino, A. Girlando, V. Lloveras, J. Vidal-Gancedo, J. Veciana and C. Rovira
Novel fused D-A dyad and A-D-A triad incorporating tetrathiafulvalene and p-benzoquinone
Journal of Organic Chemistry, 69, (2004), pp. 2164-2177
146. M. Amat, M. Pérez, N. Llor, C. Escolano, F.J. Luque, E. Molins and J. Bosch
Conjugate additons to phenylglycinol-derivel unsaturated δ -lactams. Enantioselectie synthesis
of uleine alkaloids
Journal of Organic Chemistry, 69, (2004), pp. 8681-8693
147. W. Mamdouh, H. Uji-i, A. Gesquière, S. De Feyter, D.B. Amabilino, M.M.S. Abdel-Mottaleb, J.
Veciana and F.C. De Schryver
A nanoscale view of supramolecular stereochemistry in self-assembled monolayers of
enantiomers and racemates
Langmuir, 20, (2004), pp. 9628-9635
148. C. Rancurel, H. Heise, F.H. Köhler, U. Schatzschneider, E. Rentschler, J. Vidal-Gancedo, J.
Veciana and J.-P. Sutter
Spin transfer and magnetic interaction via phosphorus in nitronyl nitroxide radical-substituted
triphenylphosphine derivatives
Journal of Physical Chemistry A, 108, (2004), pp. 5903-5914
149. Ph. Gerbier, N. Domingo, J. Gómez-Segura, D. Ruiz-Molina, D.B. Amabilino, J. Tejada, B.E.
Williamson and J. Veciana
Chiral, single-molecule nanomagnets: Synthesis, magnetic characterization and natural and
magnetic circular dichroism
150. M. Pérez-Trujillo, A. Virgili and E. Molins
Preparation, conformational analysis and behaviour as chiral solvating agents of
9-anthrylpentafluorophenylmethanol enantiomers: Study of the diastereomeric association
Tetrahedron: Asymmetry, 15, (2004), pp. 1615-1621
151. M. Mas-Torrent, P. Hadley, X. Ribas and C. Rovira
Temperature dependence of the electrical properties of single-crystals of dithiophene-tetrathiafulvalene
(DT-TTF)
152. J. Vidal-Gancedo, M. Minguet, D. Luneau, D.B. Amabilino and J. Veciana
Stereochemistry and EPR investigation of a chiral molecular magnet
153. D. Ruiz-Molina, J. Vidal-Gancedo, N. Ventosa, J. Campo, F. Palacio, C. Rovira and J. Veciana
Magneto-structural defects on a congested nanoscopic polyradical dendrimer
154. C. Sporer, I. Ratera, D. Ruiz-Molina, J. Vidal-Gancedo, K. Wurst, P. Jaitner, C. Rovira and J.
Veciana
Synthesis, X-ray structure, EPR and optical properties of a ferrocene substituted
polychlorotriphenylmethyl radical
156
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Página 156
IV. PUBLICATIONS
155. D. Maspoch, J. Vidal-Gancedo, D. Ruiz-Molina, C. Rovira and J. Veciana
EPR characterization of a nanoporous metal-organic framework exhibiting a bulk magnetic
ordering
156. V.N. Laukhin, A. Audouard, L. Brossard, T.G. Prokhorova, E.B. Yagubskii and E. Canadell
Magnetic oscillations in ␤’’-(BEDT-TTF)4(NH4)[Fe(C2O4)3]·DMF: Fermi surface study and frequency
mixing
Physica B, 346-347, (2004), pp. 359-362
157. D.B. Amabilino, J.L. Serrano, T. Sierra and J. Veciana
Taking chiral induction into the nanometre regime: Chiral teleinduction in the synthesis of
poly(isocyanide)s
Mendeleev Communications, 14, (2004), pp. 256-257
158. R. Wojciechowski, A. Kowalska, J. Ulanski, M. Mas-Torrent, E. Laukhina, C. Rovira, V. Tkacheva,
K. Yamamoto and K. Yakushi
Raman studies of the charge ordering and semiconductor-metal phase transition in polymorphic
forms of (BEDT-TTF)2Br1.3I1.1Cl0.6
159. P. Hudhomme, F. Dumur, N. Gautier, A. Gorgues, V. Lloveras, J. Vidal-Gancedo, J. Veciana and
C. Rovira
Intramolecular electron transfer mediated by a tetrathiafulvalene (TTF) bridge
F.- Methodologies,
characterization, optical
properties of materials
and crystal growth
160. D. de Caro, J. Fraxedas, C. Faulmann, I. Malfant, J. Milon, J.-F. Lamère, V. Collière and L.
Valade
Metallic thin films of TTF[Ni(dmit)2]2 by electrodeposition on (001)-oriented silicon substrates
Advanced Materials, 16 (9-10), (2004), pp. 835-838
161. J. Gustafson, A. Mikkelsen, M. Borg, E. Lundgren, L. Köhler, G. Kresse, M. Schmid, P. Varga,
J. Yuhara, X. Torrelles, C. Quiros and N.J. Andersen
Self-limited growth of a thin oxide layer on Rh(111)
162. E. Barrena, E. Palacios-Lidón, C. Munuera, X. Torrelles, S. Ferrer, U. Jonas, M. Salmeron and
C. Ocal
The role of intermolecular and molecule-substrate interactions in the stability of alkanethiol
nonsaturated phases on Au(111)
163. M.D. Rossell, A.M. Abakumov, G. Van Tendeloo, J.A. Pardo and J. Santiso
Structure and microstructure of epitaxial Sr4Fe6O13±␦ films on SrTiO3
164. F. Sánchez, G. Herranz, I.C. Infante, J. Fontcuberta, M.V. García-Cuenca, C. Ferrater and M.
Varela
Critical effects of substrate terraces and steps morphology on the growth mode of epitaxial
SrRuO3 films
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157
165. E. Gomar-Nadal, G.K. Ramachandran, F. Chen, T. Burgin, C. Rovira, D.B. Amabilino and S.M.
Lindsay
Self-assembled monolayers of tetrathiafulvalene derivatives on Au(111): Organization and
electrical properties
166. S. Sala, T. Tassaing, N. Ventosa, Y. Danten, M. Besnard and J. Veciana
Molecular insight, through IR spectroscopy, on solvating phenomena occurring in CO2-expanded
solutions
ChemPhysChem, 5, (2004), pp. 243-245
167. C. Elvira, A. Fanovich, M. Fernández, J. Fraile, J. San Román and C. Domingo
Evaluation of drug deliver characteristics of microspheres of PMMA/PCL-cholesterol obtained
by supercritical-CO2 impregnation and by dissolution-evaporation techniques
Journal of Controlled Release, 99, (2004), pp. 231-240
168. X. Torrelles, E. Barrena, C. Munuera, J. Rius, S. Ferrer and C. Ocal
New insigths in the c(4x2) reconstruction of hexadecanethiol on Au(111) revealed by grazing
incidence X-ray diffraction
Langmuir, 20, (2004), pp. 9396-9402
169. A. Bruchhausen, S. Bahrs, K. Fleischer, A.R. Goñi, A. Fainstein, G. Nieva, A.A. Aligia, W. Richter
and C. Thomsen
Photoinduced chain-oxygen ordering in detwinned YBa2Cu3O6.7 single crystals studied by
reflectance-anisotropy spectroscopy
170. S. Bahrs, A.R. Goñi, C. Thomsen, B. Maiorov, G. Nieva and A. Fainstein
Light-induced oxygen-ordering dynamics in (Y,Pr)Ba2Cu3O6.7: A Raman spectroscopy and Monte
Carlo study
171. U. Lüders, F. Sánchez and J. Fontcuberta
Self-organized structures in CoCr2O4(001) thin films: Tunable growth from pyramidal clusters
to a {111} fully faceted surface
172. X. Torrelles, C. Aruta, A. Fragneto, I. Maggio-Aprile, L. Ortega, F. Ricci, J. Rius, M. Salluzzo
and U. Scotti di Uccio
Analysis of the surface termination of Nd1+xBa2-xCu3O␥ thin films
173. F.J. Manjón, A. Segura, V. Muñoz-Sanjosé, G. Tobías, P. Ordejón and E. Canadell
Band structure of indium selenide investigated by inrinsic photoluminescence under high
pressure
174. A.R. Goñi, P. Giudici, F.A. Reboredo, C.R. Proetto, C. Thomsen, K. Eberl and M. Hauser
Evidence of spontaneous spin polarization in the two-dimensional electron gas
175. P. Giudici, A.R. Goñi, C. Thomsen, P.G. Bolcatto, C.R. Proetto and K. Eberl
Effects of the exchange instability on collective spin and charge excitations of the twodimensional electron gas
158
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Página 158
IV. PUBLICATIONS
176. A. Pérez-Tomás, P. Godignon, J. Montserrat, J. Millán, N. Mestres, P. Vennegues and J.
Stoemenos
Ta2Si thermal oxidation: A simple route to a high-k gate dielectric on 4H-SiC
Electrochemical and Solid-State Letters, 7 (12), (2004), pp. F93-F95
177. X. Torrelles and J. Rius
Faster acquisition of structure-factor amplitudes in surface X-ray diffraction experiments
Journal of Applied Crystallography, 37, (2004), pp. 395-398
178. A. Abrutis, A. Teiserskis, G. Garcia, V. Kulibius, Z. Saltyte, Z. Salciunas, V. Faucheux, A.
Figueras and S. Rushworth
Preparation of dense, ultra-thin MIEC ceramic membranes by atmospheric spray-pyrolysis
technique
Journal of Membrane Science, 240, (2004), pp. 113-122
179. G. Garcia, R.I. Merino, V.K. Orera, A. Larrea, J.I. Peña, M.A. Laguna-Bercero, J.A. Pardo, J.
Santiso and A. Figueras
YSZ thin films deposited on NiO-CSZ anodes by pulsed injection MOCVD for intermediate
temperature SOFC applications
Chemical Vapor Deposition, 10 (5), (2004), pp. 249-252
180. P. Subra, P. Berroy, J. Saurina and C. Domingo
Influence of expansion conditions on the characteristics of cholesterol crystals analyzed by
statistical design
Journal of Supercritical Fluids, 31, (2004), pp. 313-322
181. E. Barrena, J.O. Ossó, F. Schreiber, M. Garriga, M.I. Alonso and H. Dosch
Self-organization of phthalocyanines on Al2O3 (11-20) in aligned and ordered films
Journal of Materials Research, 19 (7), (2004), pp. 2061-2067
182. A. Abrutis, A. Bartasyte, G. Garcia, A. Teiserskis, V. Kubilius, Z. Saltyte, V. Faucheux, A.
Figueras and S. Rushworth
Metal-organic chemical vapour deposition of mixed-conducting perovskite oxide layers on
monocrystalline and porous ceramic substrates
Thin Solid Films, 449, (2004), pp. 94-99
183. M.I. Alonso and M. Garriga
Optical properties of anisotropic materials: An experimental approach
Thin Solid Films, 455-456 (5), (2004), pp. 124-131
184. J.A. Pardo, J. Santiso, C. Solís, G. Garcia, A. Figueras, M.D. Rossell and G. Van Tendeloo
Epitaxial Sr4Fe6O13±␦ films obtained by pulsed laser deposition
185. E. Vigil, B. González, I. Zumeta, S. Docteur, A.M. Peiró, D. Gutiérrez-Tauste, C. Domingo, X.
Doménech and J.A. Ayllón
The role of conducting-oxide-substrate type and morphology in TiO2 films grown by microwave
chemical bath deposition (MW-CBD) and their photovoltaic characteristics
186. C. Domingo, J. García-Carmona, E. Loste, A. Fanovich, J. Fraile and J. Gómez-Morales
Control of calcium carbonate morphology by precipitation in compressed and supercritical
carbon dioxide media
Journal of Crystal Growth, 271 (1-2), (2004), pp. 268-273
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159
187. J.A. García, G.G. Fuentes, R. Martínez, R.J. Rodríguez, G. Abrasonis, J.P. Riviere and J. Rius
Temperature-dependent tribological properties of low-energy N-implanted V5Ti alloys
Surface & Coatings Technology, 188-189, (2004), pp. 459-465
188. C. Colin, C.R. Pasquier, P. Auban-Senzier, F. Restangno, S. Baudron, P. Batail and J. Fraxedas
Transport properties of monocrystalline microwires of EDT-TTF-(CONHMe)2 and (TMTSF)2ClO4
189. G. Garcia, J. Santiso, J.A. Pardo and A. Figueras
Epitaxial growth of YSZ films prepared by pulsed injection MOCVD
Applied Surface Science, 233, (2004), pp. 191-196
190. J. Rius
Advances and some recent applications of the origin-free modulus sum function
Zeitschrift fur Kristallographie, 219, (2004), pp. 826-832
Initial stages in the growth of {111}-faceted CoCr2O4 clusters: Mechanisms and strained
nanometric pyramids
Applied Physics A, 79, (2004), pp. 93-97
Growth and magnetic properties of CoCr2O4 epitaxial films
Materials Science and Engineering B, 109, (2004), pp. 200-202
193. A. Vega-González, C. Domingo, C. Elvira and P. Subra
Precipitation of PMMA/PCL blends using supercritical carbon dioxide
Journal of Applied Polymer Science, 91, (2004), pp. 2422-2426
194. S. Bahrs, S. Reich, A. Zwick, A.R. Goñi, W. Bacsa, G. Nieva and C. Thomsen
Raman spectroscopy with UV excitation on untwinned single crystals of YBa2Cu3O7-␦
Physica Status Solidi B, 241 (12), (2004), R63-R66
195. P. Subra, P. Berroy, A. Vega and C. Domingo
Process performances and characteristics of powders produced using supercritical CO2 as
solvent and antisolvent
Powder Technology, 142, (2004), pp. 13-22
196. C. Frontera and J. Rodríguez-Carvajal
FULLPROF as a new tool for flipping-ratio analysis: Further improvements
Physica B, 350, (2004), pp. e731-e733
197. X. Perpiñà, X. Jordà, N. Mestres, M. Vellvehí, P. Godignon, J. Millán and H. von Kiedrowki
Internal infrared laser deflection system: A tool for power device characterization
Measurement Science and Technology, 15, (2004), pp. 1011-1018
198. W. Skorupa, D. Panknin, W. Anwand, M. Voelskow, G. Ferro, Y. Monteil, A. Leycuras, J. Pezoldt,
R. McMahon, M. Smith, J. Camassel, J. Stoemenos, E. Polychroniadis, P. Godignon, N. Mestres,
D. Turover, S. Rushworth and A. Friedberg
Flasch lamp supported deposition of 3C-SiC (FLASiC) - a promising technique to produce
high quality cubic SiC layers
Materials Science Forum, 457-460, (2004), pp. 175-180
199. A. Pérez, D. Tournier, J. Montserrat, N. Mestres, F. Sandiumenge and J. Millán
Electrical characterization of deposited and oxidized Ta2Si as dielectric film for SiC
metal-insulator semiconductor structures
160
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IV. PUBLICATIONS
200. S. Blanque, R. Pérez, P. Godignon, N. Mestres, E. Morvan, A. Kerlain, C. Dua, C. Brylinski,
M. Zielinski and J. Camassel
Room temperature implantation and activation kinetics of nitrogen and phosphorus in 4HSiC crystals
201. J. Camassel, H. Peyre, D.J. Brink, M. Zielinski, S. Blanque, N. Mestres and P. Godignon
Visible light laser irradiation: A tool for implantation damage reduction
202. R. Pérez, N. Mestres, S. Blanque, D. Tournier, X. Jordà, P. Godignon and R. Nipoti
A highly effective edge termination design for SiC planar high power devices
203. J. Pascual, F. Valvo, P. Godignon, J. Aguiló, J. Millán, J. Camassel and N. Mestres
SiC base micro-probe for myocardial ischemia monitoring
204. D. Panknin, P. Godignon, N. Mestres, E. Polychroniadis, J. Stoemenos, G. Ferro, J. Pezoldt
and W. Skorupa
Formation of 3C-SiC films embedded in SiO2 by sacrificial oxidation
205. X. Perpiñà, X. Jordà, N. Mestres, M. Vellvehí, P. Godignon and J. Millán
Self-heating experimental study of 600 V PT-IGBTs under low dissipation energies
Microelectronics Journal, 35, (2004), pp. 841-847
206. J. Fraxedas
Growth and physical properties of molecular organic thin films
207. G. Garcia, J. Caro, J. Santiso, J.A. Pardo, A. Figueras and A. Abrutis
Crecimiento de películas delgadas de membranas de conducción iónica mediante la técnica
de PIMOCVD
G.- Not included in JCR
(Journal citation
Reports)
208. K. Racka, M. Gich, A. Roig, A. Krzyzewski and A. Slawska-Waniewska
Magnetic properties of Fe - Fe oxide particle systems
Archiwum Nauki o Materialach (Archives of Materials Science), 25 (4), (2004), pp. 469-475
209. X. Torrelles, J. Rius, O. Bikondoa, P. Ordejon, E. Machado, T.L. Lee and J. Zegenhagen
1/2
1/2
The structure of Ge(111): C60 - (13 x13 )
ESRF Newsletter, 39, (2004), pp. 17-18
210. J.O. Ossó, F. Schreiber, M.I. Alonso, M. Garriga, E. Barrena and H. Dosch
Structure, morphology, and optical properties of thin films of F16CuPc grown on silicon dioxide
Organic Electronics, 5, (2004), pp. 135-140
211. R. Rurali, E. Hernández, P. Godignon, J. Rebollo and P. Ordejón
Self-passivation mechanisms in clusters of N dopants in SiC
Physica Status Solidi C, 1, (2004), pp. 274-277
212. J. Fontcuberta and X. Obradors
Superconductivitat i superfluïdesa. Un premi per a la comprensió d’efectes quàntics ben
visibles
Revista de Física, 26, (2004), pp. 4-15
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161
Articles in journals, 2005
A.- Theoretical physics
1.
M. Kaczmarski, O.N. Bedoya-Martinez and E.R. Hernández
Phase diagram of silicon from atomistic simulations
2.
H.A. Al-Brithen, R. Yang, M.B. Haider, C. Constantin, E. Lu, A.R. Smith, N. Sandler and P.
Ordejón
Scanning tunnelling microscopy and surface simulation of Zinc-Blende GaN(001) intrinsic
4X reconstruction: Linear gallium tetramers?
3.
R. Rurali, N. Lorente and P. Ordejón
Comment on “Molecular distortions and chemical bonding of a large ␲-conjugated molecule
on a metal surface”
Physical Review Letters, 95, (2005), pp. 209601-1
4.
B. Braïda, S. Adams and E. Canadell
Concerning the structure of hydrogen molybdenum bronze phase III. A combined theoreticalexperimental study
5.
P. Alemany, M. Llunell and E. Canadell
Electronic structure of Li2Ga and Li9Al4, two solids containing infinite and uniform zigzag
chains
Inorganic Chemistry, 44, (2005), pp. 374-381
6.
P. Alemany, M. Llunell and E. Canadell
Electronic structure of the K3Bi2 metallic phase
7.
E. Machado, M. Kaczmarski, P. Ordejón, D. Garg, J. Norman and H. Cheng
First-principles analyses and predictions on the reactivity of barrier layers of Ta and TaN
toward organometallic precursors for deposition of copper films
Langmuir, 21, (2005), pp. 7608-7614
8.
C. Herdes, M.A. Santos, F. Medina and L.F. Vega
Pore size distribution analysis of selected hexagonal mesoporous silicas by grand canonical
Monte Carlo simulations
Langmuir, 21, (2005), pp. 8733-8742
9.
A. Mejía, J.C. Pàmies, D. Duque, H. Segura and L.F. Vega
Phase and interface behaviors in type-I and type-V Lennard-Jones mixtures: Theory and
simulations
Journal of Chemical Physics, 123 (3), (2005), pp. 034505-1 - 034505-10
10.
J. Hernández-Cobos, H. Saint-Martin, A.D. Mackie, L.F. Vega and I. Ortega-Blake
Water liquid-vapor equilibria predicted by refined ab initio derived potentials
11.
A. Olivet, D. Duque and L.F. Vega
Sulfur hexafluoride’s liquid-vapor coexistence curve, interfacial properties, and diffusion
coefficients as predicted by a simple rigid model
and chemistry:
Modelling and
simulation of materials
162
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IV. PUBLICATIONS
12.
M. Machón, S. Reich, H. Telg, J. Maulzsch, P. Ordejón and C. Thomsen
Strength of radial breathing mode in single-walled carbon nanotubes
13.
D. Errandonea, A. Segura, F.J. Manjón, A. Chevy, E. Machado, G. Tobias, P. Ordejón and E.
Canadell
Crystal symmetry and pressure effects on the valence band structure of ␥-InSe and ␧-GaSe:
Transport measurements and electronic structure calculations
14.
K. Trachenko, J.M. Pruneda, E. Artacho and M.T. Dove
How the nature of the chemical bond governs resistance to amorphization by radiation
damage
Physical Review B, 71 (18), (2005), pp. 184104-1 - 184104-5
15.
T. Yildirim, J. Íñiguez and S. Ciraci
Molecular and dissociative adsorption of multiple hydrogen molecules on transition metal
decorated C60
16.
A.D. Dubrovskii, N.G. Spitsina, L.I. Buravov, G.V. Shilov, O.A. Dyachenko, E.B. Yagubskii, V.N.
Laukhin and E. Canadell
2New molecular metals based on BEDO radical cation salts with the square planar Ni(CN)4
anion
17.
E. Espinosa, I. Alkorta, I. Mata and E. Molins
Topological analysis of the electron density distribution in perturbed systems. I. Effect of
charge on the bond properties of hydrogen fluoride
Journal of Physical Chemistry A, 109, (2005), pp. 6532-6539
18.
E.M. Fernández, P. Ordejón and L.C. Balbás
Theoretical study of O2 and CO adsorption on Aun clusters (n=5-10)
Chemical Physics Letters, 408, (2005), pp. 252-257
19.
C. Constantin, M.B. Haider, D. Ingram, A.R. Smith, N. Sandler, K. Sun and P. Ordejón
Composition-dependent structural properties in ScGaN alloy films: A combined experimental
an theoretical study
20.
M.J. Sánchez-Montero, C. Herdes, F. Salvador and L.F. Vega
New insights into the adsorption isotherm interpretation by a coupled molecular simulationexperimental procedure
21.
C. Herdes, M.A. Santos, S. Abelló, F. Medina and L.F. Vega
Search for a reliable methodology for PSD determination based on a combined molecular
simulation-regularization-experimental approach. The case of PHTS materials
22.
E. Wachowicz, R. Rurali, P. Ordejón and P. Hyldgaard
First stages of the oxidation of the Si-rich 3C-SiC(001) surface
Computational Materials Science, 33, (2005), pp. 13-19
23.
N. Pedrosa, J.C. Pàmies, J.A.P. Coutinho, I.M. Marrucho and L.F. Vega
Phase equilibria of ethylene glycol oligomers and their mixtures
Industrial and Engineering Chemistry Research, 44, (2005), pp. 7027-7037
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163
24.
A.M.A. Dias, C.M.B. Gonçalves, A.I. Caço, L.M.N.B.F. Santos, M.M. Piñeiro, L.F. Vega, J.A.P.
Coutinho and I.M. Marrucho
Densities and vapour pressures of highly fluorinated compounds
Journal of Chemical Engineering Data, 50(4), (2005), pp. 1328-1333
25.
A. Mejía, H. Segura, L.F. Vega and J. Wisniak
Simultaneous prediction of interfacial tension and phase equilibria in binary mixtures. An
approach based on cubic equations of state with improved mixing rules
Fluid Phase Equilibria, 227, (2005), pp. 225-238
26.
L.V. Zorina, S.S. Khasanov, S.V. Simonov, R.P. Shibaeva, L.A. Kushch, L.I. Buravov, E.B.
Yagubskii, S. Baudron, C. Mézière, P. Batail, E. Canadell and P. Auban- Senzier
Crystalline patterns and band structure dimensionality in a series of conducting hybrids
associating amide-functionalized EDT-TTF ␲-donors with the isosteric octahedral anions
23[FeNO(CN)5] and [M(CN)6] (M = Co, Fe)
27.
N.D. Kushch, A.V. Kazakova, L.I. Buravov, E.B. Yagubskii, S.B. Simonov, L.V. Zorina, S.S.
Khasanov, R.P. Shibaeva, E. Canadell, H. Son and J. Yamada
The first BDH-TTP radical cation salts with mercuric counterions, ␬-(BDH-TTP) [Hg(SCN)4]
C6H5NO2 and ␣’- (BDH-TTP)6[Hg(SCN)3][Hg(SCN)4]
4
B.- Magnetic materials
28.
L.P. Biro, G.I. Mark, A.A. Koos, Z.E. Horvath, A. Szabo, A. Fonseca, J.B. Nagy, J.F. Colomer, P.
Lambin, V. Meunier, J.C. Charlier, O.N. Bedoya-Martinez and E. Hernández
Regularly curved carbon nanotubes
Fullerenes Nanotubes and Carbon Nanostructures, 13 Suppl. 1, (2005), pp. 523-533
29.
P. Batail, K. Heuze, S.A. Baudron, M. Fourmigue, C. Coulon, R. Clerac, E. Canadell, V. Laukhin,
P. Auban-Senzier, R. Melzi, P. Wzietek and D. Jerome
Functional pi-donors with no symmetry and Mott physics
30.
M. Cavallini, J. Gómez-Segura, D. Ruiz-Molina, M. Massi, C. Albonetti, C. Rovira, J. Veciana
and F. Biscarini
Magnetic information storage on polymers by using patterned single-molecule magnets
31.
F. Luis, J. Campo, J. Gómez, G. J. McIntyre, J. Luzon and D. Ruiz-Molina
Long-range ferromagnetism of Mn12 acetate single-molecule magnets under a transverse
magnetic field
32.
B. Martínez, F. Sandiumenge, Ll. Balcells, J. Arbiol, F. Sibieude and C. Monty
Role of the microstructure on the magnetic properties of Co-doped ZnO nanoparticles
Applied Physics Letters, 86, (2005), pp. 103113-1 - 103113-3
33.
Ll. Abad, B. Martínez and Ll. Balcells
Surface behavior of La2/3Ca1/3MnO3 epitaxial thin films
34.
J. Qin, J. Nogués, M. Mikhaylova, A. Roig, J.S. Muñoz and M. Muhammed
Differences in the magnetic properties of Co, Fe and Ni 250-300 nm wide nanowires
electrodeposited in amorphous anodized alumina templates
164
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IV. PUBLICATIONS
35.
E. Rodríguez, A. Roig, E. Molins, C. Arús, M.R. Quintero, M.E. Cabañas, S. Cerdán, P. LópezLarrubia and C. Sanfeliu
In vitro characterizations of an Fe8 cluster as potential MRI contrast agent
NMR in Biomedicine, 18, (2005), pp. 300-307
36.
F. Sánchez, U. Lüders, G. Herranz, I.C. Infante, J. Fontcuberta, M.V. García-Cuenca, C. Ferrater
and M. Varela
Self-organization in complex oxide thin films: From 2D to 0D nanostructures of SrRuO3 and
CoCr2O4
Nanotechnology, 16, (2005), pp. S190-S196
37.
C. Martínez Boubeta, C. Clavero, J.M. García-Martín, G. Armelles, A. Cebollada, Ll. Balcells,
J.L. Menéndez, F. Peiró, A. Cornet and M.F. Toney
Coverage effects on the magnetism of Fe/MgO(001) ultrathin films
38.
M. Wojcik, E. Jedryka, S. Nadolski, D. Rubi, C. Frontera, J. Fontcuberta, B. Jurca, N. Dragoe
and P. Berthet
Electronic self-doping of Mo states in A2FeMoO6 (A=Ca, Sr, and Ba) half-metallic ferromagnets:
A nuclear magnetic resonance study
39.
U. Lüders, M. Bibes, J.F. Bobo, M. Cantoni, R. Bertacco and J. Fontcuberta
Enhanced magnetic moment and conductive behavior in NiFe2O4 spinel ultrathin films
40.
G. Herranz, F. Sánchez, J. Fontcuberta, M.V. García-Cuenca, C. Ferrater, M. Varela, T. Angelova,
A. Cros and A. Cantarero
Domain structure of epitaxial SrRuO3 thin films
41.
G. Herranz, F. Sánchez, J. Fontcuberta, V. Laukhin, J. Galibert, M.V. García-Cuenca, C. Ferrater
and M. Varela
Magnetic field effect on quantum corrections to the low temperature conductivity in metallic
perovskite oxides
42.
M. Gajek, M. Bibes, A. Barthélémy, K. Bouzehouane, S. Fusil, M. Varela, J. Fontcuberta and
A. Fert
Spin filtering through ferromagnetic BiMnO3 tunnel barriers
43.
J.L. García-Muñoz, C. Frontera, M. Respaud, M. Giot, C. Ritter and X.G. Capdevila
Magnetic properties of Bi0.75Sr0.25MnO3 (x 2/8, TCO=600K): Ferromagnetism and charge
order
44.
B. Martínez, F. Sandiumengue, Ll. Balcells, J. Arbiol, F. Sibieude and C. Monty
Structural and magnetic properties in Co-doped ZnO nanoparticles
45.
C. López, R. Costa, F. Illas, C.de Graaf, M.M. Turnbull, C.P. Landee, E. Espinosa, I. Mata and
E. Molins
Magneto-structural correlations in binuclear copper(II) compounds bridged by a
ferrocenecarboxylato(-1) and an hydroxo- or methoxo-ligands
Dalton Transactions, (2005), pp. 2322-2330
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165
46.
C. Frontera, J.L. García-Muñoz, M.A.G. Aranda, M. Hervieu, C. Ritter, A. Calleja, X.G. Capdevila
and M. Respaud
Magnetism in the low-doping regime (x<0.50) of Bi1-xSrxMnO3 perovskites
Journal of Applied Physics, 97, (2005), pp. 10C105-1 - 10C105-3
47.
C. Frontera, J.L. García-Muñoz, A.E. Carrillo, A. Caneiro, C. Ritter and D. Martín y Marero
Magnetism and vacancy ordering in PrBaCo2O5+␦ (␦ⱖ0.50)
Journal of Applied Physics, 97, (2005), pp. 10C106-1 - 10C106-3
48.
B. Martínez, F. Sandiumengue, Ll. Balcells, J. Fontcuberta, F. Sibieude and C. Monty
Magnetic properties of Co-doped ZnO nanoparticles prepared by vaporization-condensation
in a solar reactor
Journal of Applied Physics, 97, (2005), pp. 10D311-1 - 10D311-3
49.
J.L. García-Muñoz, N. Bellido, C. Frontera, J. Hernández-Velasco, C. Ritter, C. Yaicle, C. Martin
and A. Maignan
Neutron-diffraction study of magnetization avalanches in Pr0.50Ca0.50Mn1-xNixO3
Journal of Applied Physics, 97, (2005), pp. 10H701-1 - 10H701-3
50.
G. Herranz, N. Dix, F. Sánchez, B. Martínez, J. Fontcuberta, M.V. García-Cuenca, C. Ferrater,
M. Varela, D. Hrabovsky and A.R. Fert
Kerr measurements on single-domain SrRuO3 thin films
Journal of Applied Physics, 97, (2005), pp. 10M321-1 - 10M321-3
51.
M. Gajek, M. Bibes, A. Barthélémy, M. Varela and J. Fontcuberta
Perovskite-based heterostructures integrating ferromagnetic-insulating La0.1Bi0.9MnO3
52.
M. Gich, A. Roig, C. Frontera, E. Molins, J. Sort, M. Popovici, G. Chouteau, D. Martín y Marero
and J. Nogués
Large coercivity and low-temperature magnetic reorientation in ␧-Fe2O3 nanoparticles
53.
M. Bibes, V. Laukhin, S. Valencia, B. Martínez, J. Fontcuberta, O.Y. Gorbenko, A.R. Kaul and
J.L. Martínez
Anisotropic magnetoresistance and anomalous Hall effect in manganite thin films
54.
D. Rubí, C. Frontera, A. Roig, J. Nogués, J.S. Muñoz and J. Fontcuberta
Increasing the Curie temperature of Ca2FeMoO6 double perovskite by introducing nearneighbour antiferromagnetic interactions
55.
L. Casas, J. Shaw, M. Gich and J.A. Share
High-quality microwave archaeointensity determinations from an early 18th century AD English
brick kiln
Geophysical Journal Internacional, 161 (3), (2005), pp. 653-661
56.
J.A. Collado, C. Frontera, J.L. García-Muñoz and M.A.G. Aranda
Effect of cation site-disorder on the structure and magneto-transport properties of Ln5/8M3/8MnO3
manganites
57.
U. Lüders, M. Bibes, J.F. Bobo and J. Fontcuberta
Tuning the growth orientation of NiFe2O4 films by appropriate underlayer selection
Applied physics A - Materials Science & Processing, 80, (2005), pp. 427-431
166
C.- Superconducting
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IV. PUBLICATIONS
58.
U. Lüders, F. Sánchez and J. Fontcuberta
Self-organized growth of pyramidal clusters in epitaxial spinel CoCr2O4 films on rock salt MgO
(001) substrates
Applied physics A - Materials Science & Processing, 81, (2005), pp. 103-108
59.
K. Racka, M. Gich, A. Ślawska-Waniewska, A. Roig and E. Molins
Magnetic properties of Fe nanoparticle systems
60.
Ferromagnetism in co-doped ZnO particles prepared by vaporization-condensation in a solar
image furnace
61.
V. Laukhin, Ll. Abad, Ll. Balcells, J. Fontcuberta, B. Martínez, O. Gorbenko and A. Kaul
Charge inhomogeneities in La2/3Ca1/3MnO3 epitaxial thin films
62.
J. Fontcuberta, D. Rubi, C. Frontera, J.L. García-Muñoz, M. Wojcik, E. Jedryka, S. Nadolski,
M. Izquierdo, J. Avila and M.C. Asensio
Ferromagnetic coupling strength and electron-doping effects in double perovskites
63.
G. Herranz, F. Sánchez, B. Martínez, C. Ferrater, M.V. García-Cuenca, M. Varela and J.
Fontcuberta
Magnetoresistance of SrRuO3 ultra-thin films
64.
I.C. Santos, D. Belo, J. Mendonca, M.J. Figueira, M. Almeida and C. Rovira
5,6-dihydrothieno[2,3-d][1,3]dithiol-2-one
Acta Crystallographica E, 61, (2005), pp. O2161-O2163
65.
J. Oró-Solé, C. Frontera, B. Martínez, D. Beltrán-Porter, M.R. Palacín and A. Fuertes
A new intermediate intercalate in superconducting sodium-doped hafnium nitride chloride
66.
F. Sandiumenge, A. Cavallaro, J. Gázquez, T. Puig, X. Obradors, J. Arbiol and H.C. Freyhardt
Mechanisms of nanostructural and morphological evolution of CeO2 functional films by
chemical solution deposition
Nanotechnology, 16, (2005), pp. 1809-1813
67.
C. Navau, A. Sánchez, E. Pardo, D.-X. Chen, E. Bartolomé, X. Granados, T. Puig and X. Obradors
Critical state in finite type-II superconducting rings
68.
E. Bartolomé, X. Granados, A. Palau, T. Puig, X. Obradors, C. Navau, E. Pardo, A. Sánchez
and H. Claus
Magnetization and critical current of finite Superconductivity YBa2Cu3O7 rings
69.
D.-X. Chen, E. Pardo, A. Sánchez, S.-S. Wang, Z.-H. Han, E. Bartolomé, T. Puig and X. Obradors
Anomalous ac magnetic susceptibility of high-temperature YBa2Cu3O7-␦ superconductors
materials
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167
70.
F. Berberich, H. Graafsma, B. Rousseau, A. Canizares, R. Ramy Ratiarison, N. Raimbou, P.
Simon, P. Odier, N. Mestres, T. Puig and X. Obradors
Combined synchrotron x-ray diffraction and micro-Raman for following in situ the growth of
solution-deposited YBa2Cu3O7 thin films
Journal of Materials Research, 20 (12), (2005), pp. 3270-3273
71.
A. Joulain, F. Sandiumenge, N. Vilalta, T. Prikhna, A.V. Vlasenko and J. Rabier
Dislocation configurations in twin-free melt-textured YBa2Cu3O7 processed at high pressure
and temperature
Philosophical Magazine Letters, 85 (8), (2005), pp. 405-414
72.
A.E. Carrillo, T. Puig and X. Obradors
Pushing and trapping phenomena in YBa2Cu3O7 melt-textured composites with BaZrO3 and
Ag additions
Superconductor Science and Technology, 18, (2005), pp. S77-S81
73.
S. Iliescu, A.E. Carrillo, E. Bartolomé, X. Granados, B. Bozzo, T. Puig, X. Obradors, I. García
and H. Walter
Melting of Ag-YBa2Cu3O7 interfaces: The path to large area high critical current welds
74.
J. Plain, F. Sandiumenge, J. Rabier, A. Proult, I. Stretton, T. Puig and X. Obradors
Vortex pinning by a novel stress induced stacking fault microstructure in melt-textured
YBa2Cu3O7
75.
L.A. Angurel, M. Bona, J.M. Andrés, D. Muñoz- Rojas and N. Casañ-Pastor
High quality silver contacts on ceramic superconductors obtained by electrodeposition from
non-aqueous solvents
76.
E. Bartolomé, F. Gömöry, X. Granados, T. Puig and X. Obradors
Transport versus magnetization technique for determination of critical current densities in
superconducting tapes with macroscopic defects
77.
K. Zmorayova, P. Diko, A.E. Carrillo, F. Sandiumenge and X. Obradors
Quantitative analysis of Y2BaCuO5 particle distribution in a melt-grown YBa2Cu3O7/Y2BaCuO5
bulk superconductor
78.
E. Bartolomé, X. Granados, V. Cambel, J. Fedor, P. Kovác and I. Hušek
Critical current density analysis of ex situ MgB2 wire by in-field and temperature Hall probe
imaging
Superconductor Science and Technology, 18 (8), (2005), pp. 1135-1140
79.
T. Puig, J.C. González, A. Pomar, N. Mestres, O. Castaño, M. Coll, J. Gázquez, F. Sandiumenge,
S. Piñol and X. Obradors
Influence of growth conditions on the microstructure and critical currents of TFA-MOD YBa2Cu3O7
films
80.
B. Bozzo, S. Iliescu, E. Bartolomé, A. Palau, X. Granados, T. Puig, X. Obradors, J. Amorós
and M. Carrera
Determination of the inter- and intra-granular critical currents in superconducting YBa2Cu3O7
welds
168
D.- Inorganic,
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IV. PUBLICATIONS
81.
A. Pomar, M. Coll, A. Cavallaro, J. Gázquez, J.C. González, N. Mestres, F. Sandiumenge, T.
Puig and X. Obradors
High Jc YBCO thin films and multilayers grown by chemical solution deposition
IEEE Transactions on Applied Superconductivity, 15 (2), (2005), pp. 2747-2750
82.
E. Bartolomé, X. Granados, T. Puig, X. Obradors, E.S. Reddy and S. Kracunovska
Critical state of YBCO superconductors with artificially patterned Holes
83.
A. Palau, T. Puig, X. Obradors, R. Feenstra and H.C. Freyhardt
Effect of strain on grain and grain-boundary critical currents of YBCO coated conductors
84.
R. Hühne, B. Holtzapfel, A. Kursomovic, J.E. Evetts, A. Cavallaro, F. Sandiumenge, A. Pomar,
T. Puig and X. Obradors
Preparation of MZrO3 (M=Ba,Sr) buffer layers on surface oxidized Ni/NiO templates by PLD
and MOD
85.
M. Gombos, V. Gomis, A. Vecchione, R. Ciancio, R. Fittipaldi, A.E. Carrillo, S. Pace and X.
Obradors
Mechanical fragility and tri-dimensional crack structure in NdBaCuO top seeded and multi-seeded
melt-textured samples
86.
X. Granados, B. Bozzo, S. Iliescu, E. Bartolomé, T. Puig, X. Obradors, J. Amorós and M.
Carrera
Critical current determination of artificially welded HTS samples by in-field Hall mapping
technique
87.
A. Caballero, V. Lloveras, A. Tárraga, A. Espinosa, M. D. Velasco, J. Vidal-Gancedo, C. Rovira,
K. Wurst, P. Molina and J. Veciana
An electroactive nitrogen-rich [4,4]ferrocenophane displaying a Redox-swichable behabiour:
2+
Selective sensing, complexation, and decomplexation of Mg ions
88.
A. Laromaine, F. Teixidor and C. Viñas
Carbon extrusion in 1,2-dicarba-closo-dodecaboranes: Regioselective boron substitution in tenvertex closo-monocarbaborane anions
Angewandte Chemie-International Edition, 44 (15), (2005), pp. 2220-2222
89.
S. Perruchas, J. Fraxedas, E. Canadell, P. Auban-Senzier and P. Batail
Monoclinic polymorphs of bechgaard and fabre salts
90.
E. Gomar-Nadal, J. Veciana, C. Rovira and D.B. Amabilino
Chiral teleinduction in the formation of a macromolecular multistate chiroptical redox switch
Advanced Materials, 17, (2005), pp. 2095-2098
91.
F. Teixidor, G. Barberà, A. Vaca, R. Kivekäs, R. Sillanpää, J. Oliva and C. Viñas
Are methyl groups electron-donating or electron-withdrawing in boron clusters?. Permethylation
of o-carborane
organometallic materials,
and coordination
compounds
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169
92.
M.Ll. Nadal, J. Bosch, J.M. Vila, G. Klein, S. Ricart and J.M. Moretó
The Ni mediated cyclocarbonylation of allyl halides and alkynes made catalytic. Evidence
I
supporting the involvement of pseudoradical Ni species in the mechanism
93.
S.A. Baudron, P. Batail, C. Coulon, R. Clérac, E. Canadell, V. Laukhin, R. Melzi, P. Wzietek, D.
Jérome, P. Auban-Senzier and S. Ravy
(EDT-TTF-CONH2)6[Re6Se8(CN)6], a metallic Kagome-type organic-inorganic hybrid compound:
Electronic instability, molecular motion, and charge localization
94.
J.M. Oliva, N.L. Allan, P. v. R. Schleyer, C. Viñas and F. Teixidor
Strikingly long C···C distances in 1,2-disubstituted ortho-carboranes and their dianions
Journal of the American Chemical Society, 127, (2005), pp. 13538 -13547
95.
A. Caballero, R. Martínez, V. Lloveras, I. Ratera, J. Vidal-Gancedo, K. Wurst, A. Tárraga, P.
Molina and J. Veciana
2+
Highly selective chromogenic and redox of fluorescent sensors of Hg in aqueous environment
based on 1,4-disubstituted azines
96.
J. Giner, C. Viñas, F. Teixidor, A. Comas-Vives, G. Ujaque, A. Lledós, M.E. Light and M.B.
Hursthouse
Self-assembly of mercaptane-metallacarborane complexes by an unconventional cooperative
effect: A C-H···S-H···H-B hydrogen/dihydrogen bond interaction
Journal of the American Chemical Society, 127 (45), (2005), pp. 15976-15982
97.
K. Cuentas-Gallegos, M. Lira-Cantú, N. Casañ-Pastor and P. Gómez-Romero
Nanocomposite hybrid molecular materials for application in solid-state electrochemical
supercapacitors
Advanced Functional Materials, 15, (2005), pp. 1125-1133
98.
J. Giner, F. Hampel and J.A. Gladysz
5
Generation and reactions of ruthenium phosphido complexes [(␩ -C5H5)Ru(PR’3)2(PR2)]:
Remarkably high phosphorus basicities and applications as ligands for palladium-catalyzed
suzuki cross-coupling reactions
99.
C. Viñas, J. Llop, F. Teixidor, R. Kivekäs and R. Sillanpää
5
Restricted rotation in unbridged sandwich complexes: Rotational behavior of closo-[Co(␩ NC4H4)(C2B9H11)] derivatives
Chemistry - A European Journal, 11 (6), (2005), pp. 1933-1941
100. R. Núñez, O. Tutusaus, F. Teixidor, C. Viñas, R. Sillanpää and R. Kivekäs
Highly stable neutral and positively charged dicarbollide sandwich complexes
Chemistry - A European Journal, 11 (6), (2005), pp. 5637-5647
101. R. Núñez, A. González, C. Viñas, F. Teixidor, R. Sillanpää and R. Kivekäs
Approaches to the preparation of carborane-containing carbosilane compounds
Organic Letters, 7 (2), (2005), pp. 231-233
102. F. Bardé, M.R Palacín, B. Beaudoin and J.-M. Tarascon
Ozonation: A unique route to prepare nickel oxyhydroxides. Synthesis optimization and
reaction mechanism study
170
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IV. PUBLICATIONS
103. J.R. Herance, E. Peris, J. Vidal, J.L. Bourdelande, J. Marquet and H. Garcia
Second harmonic generation of C60 incorporated in alkali metal ion zeolites and mesoporous
MCM-41 silica
Chemistry of Materials, 17 (16), (2005), pp. 4097-4102
104. C. Frontera, A. Caneiro, A.E. Carrillo, J. Oró-Solé and J.L. García-Muñoz
Tailoring oxygen content on PrBaCo2O5+␦ layered cobaltites
105. J. Gómez-Segura, O. Kazakova, J. Davies, P. Josephs-Franks, J. Veciana and D. Ruiz-Molina
Self-organization of Mn12 single-molecule magnets into ring structures induced by breathfigures as templates
Chemical Communications, 45, (2005), pp. 5615-5617
106. A. Costela, I. García Moreno, C. Gómez, O. García, R. Sastre, A. Roig and E. Molins
Polymer-filled nanoporous silica aerogels as hosts for highly stable solid-state dye lasers
107. D. Muñoz-Rojas, G. Subías, J. Fraxedas, P. Gómez-Romero and N. Casañ-Pastor
Electronic structure of Ag2Cu2O4. Evidence of oxidized silver and copper and internal charge
delocalization
108. S. Pérez, C. López, A. Caubet, A. Roig and E. Molins
Ring-chain tautomerism of the novel 2-Ferrocenyl-2,4-dihydro-1H-3,1-benzoxazine
Journal of Organic Chemistry, 70 (12), (2005), pp. 4857-4860
109. X. Ribas, A. Sironi, N. Masciocchi, E.B Lopes, M. Almeida, J. Veciana and C. Rovira
Structural, magnetic and electrical characterization of new polycrystalline phases of nickel- and
platinum-doped [(DT-TTF)n][Au(mnt)2] (n = 1,2)
110. D. Maspoch, J. Gómez-Segura, N. Domingo, D. Ruiz-Molina, K. Wurst, C. Rovira, J. Tejada and
J. Veciana
An unusually stable trinuclear manganese (II) complex bearing bulk carboxylic radical ligands
111. R. Núñez, A. González-Campo, C. Viñas, F. Teixidor, R. Sillanpää and R. Kivekäs
Boron–functionalized carbosilanes: Insertion of carborane clusters into peripheral silicon
atoms of carbosilane compounds
112. A. Laromaine, F. Teixidor, R. Kivekäs, R. Sillanpää, R. Benakki, B. Grüner and C. Viñas
Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides
Dalton Transactions, 10, (2005), pp. 1785-1795
113. A. García-Raso, J.J. Fiol, A. Tasada, F.M. Albertí, E. Molins, M.G. Basallote, M.A. Máñez, M.J.
Fernández-Trujillo and D. Sánchez
Ag(I) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete
metallomacrocyclic frames. A structural and solution study
Dalton Transactions, (2005), pp. 3763-3772
114. P. Gómez-Romero and C. Sanchez
Hybrid materials. Functional properties. From maya blue to 21st century materials
New Journal of Chemistry, 29 (1), (2005), pp. 57-58
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171
115. J. Gómez-Segura, E. Lhotel, C. Paulsen, D. Luneau, K. Wurst, J. Veciana, D. Ruiz-Molina and
P. Gerbier
Trihaloacetic acids: An investigation of steric and inductive ligand effects on the synthesis
of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets
New Journal of Chemistry, 29, (2005), pp. 499-503
116. S. Martínez, A. Vallribera, C.L. Cotet, M. Popovici, L. Martín, A. Roig, M. Moreno-Mañas and
E. Molins
Nanosized metallic particles embedded in silica and carbon aerogels as catalysts of MizorokiHech coupling reaction
New Journal of Chemistry, 29, (2005), pp. 1342-1345
117. S.V. Simonov, I.Yu. Shevyakova, L.V. Zorina, S.S. Khasanov, L.I. Buravov, V.A. Emel’yanov, E.
Canadell, R.P. Shibaeva and E.B. Yagubskii
Variety of molecular conducting layers in the family of radical cation salts based on BEDT2TTF with the metal mononitrosyl complex [OsNOCl5]
118. J.C. Dias, X. Ribas, J. Morgado, J. Seiça, E.B. Lopes, I.C. Santos, R.T. Henriques, M. Almeida,
K. Wurst, P. Foury-Leylekian, E. Canadell, J. Vidal-Gancedo, J. Veciana and C. Rovira
Multistability in a family of DT–TTF organic radical based compounds (DT–TTF)4[M(L)2]3 (M =
Au, Cu; L = pds, pdt, bdt)
119. M.M.S. Abdel-Mottaleb, E. Gomar-Nadal, M. Surin, H. Uji-i, W. Mamdouh, J. Veciana, V. Lemaur,
C. Rovira, J. Cornil, R. Lazzaroni, D.B. Amabilino, S. De Feyter and F.C. De Schryver
Self-assembly of tetrathiafulvalene derivatives at a liquid/solid interface – compositional
and constitutional influence on supramolecular ordering
120. S. Gentil, E. Crespo, I. Rojo, A. Friang, C. Viñas, F. Teixidor, B. Grüner and D. Gabel
Polypyrrole materials doped with weakly coordinating anions: Influence of substituents and
the fate of the doping anion during the overoxidation process
Polymer, 46 (26), (2005), pp. 12218-12225
121. A. Pérez-Tomás, P. Godignon, J. Montserrat, J. Millán, N. Mestres, P. Vennegues and J.
Stoemenos
Characterization of high-k Ta 2Si oxidized films on 4H-SiC and Si substrates as gate
insulator
Journal of the Electrochemical Society, 152 (4), (2005), pp. G259-G265
122. J. Cabana, N. Dupré, C.P. Grey, G. Subías, M.T. Caldés, A.-M. Marie and M.R. Palacín
Oxynitrides as electrode materials for lithium-ion batteries. Characterization and performance
of Li7.9MnN3.2O1.6
Journal of the Electrochemical Society, 152 (11), (2005), pp. A2246-A2255
123. P. Gómez-Romero, J.A. Asensio and S. Borrós
Hybrid proton-conducting membranes for polymer electrolyte fuel cells. Phosphoric acid
doped poly(2,5-benzimidazole)-(ABPBI-H3PMo12O40)
Electrochimica Acta, 50, (2005), pp. 4715-4720
124. P. A. Brayshaw, A.K. Hall, W.T.A. Harrison, J.M. Harrowfield, D. Pearce, T.M. Shand, B.W.
Skelton, C.R. Whitaker and A.H. White
Structural studies of rare earth/transition metal complex ion systems as a basis for
understanding their thermal decomposition to mixed oxides
172
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IV. PUBLICATIONS
125. D. Belo, M.J. Figueira, J. Mendonça, I.C. Santos. M. Almeida, R.T. Henriques, M.T. Duarte,
C. Rovira and J. Veciana
Copper, cobalt and platinum complexes with dithiothiophene-based ligands
126. J. Giner, C. Viñas, F. Teixidor, M.E. Light, M.B. Hursthouse and H.R. Ogilvie
B-substituted (arene)ruthenacarborane-sulfonium, -thioether and -mercaptan complexes:
Mild single and double dealkylation and structural implications in the antipodal distance
127. M. Gich, E.A. Shafranovsky, A. Roig, A. Ślawska-Waniewska, K. Racka, Ll. Casas, Yu.I. Petrov,
E. Molins and M.F. Thomas
Aerosol nanoparticles in the Fe1-xCrx system: Room-temperature stabilization of the ␴ phase
and ␴ ␣ -phase transformation
128. T. Boix, J. Gómez-Morales, J. Torrent-Burgues, A. Monfort, P. Puigdomènech and R. RodriguezClemente
Adsorption of recombinant human bone morphogenetic protein rhBMP-2m onto hydroxyapatite
Journal of Inorganic Biochemistry, 99 (5), (2005), pp. 1043-1050
129. I. Justicia, G. Garcia, L. Váquez, J. Santiso, P. Ordejón, G. Battiston, R. Gerbasi and A. Figueras
Self-doped titanium oxide thin films for efficient visible light photocalysis. An example:
Nonylphenol photodegradation
Sensors and Actuators B-Chemical, 109 (1), (2005), pp. 52-56
130. M.B. Fernández van Raap, F.H. Sánchez, C.E. Rodríguez Torres, Ll. Casas, A. Roig and E.
Molins
Detailed magnetic dynamic behaviour of nanocomposite iron oxide aerogels
131. M.K Amshumali, I. Chávez, V. Arancibia, F. Burgos, J.M. Manríquez, E. Molins and A. Roig
Synthesis, characterization and structure of diiron organometallic derivatives of 2,9-di methyl1, 10-dihydro-dicyclopenta[a,h]naphthalene
Journal of Organometallic Chemistry, 690, (2005), pp. 1340-1349
132. A. Llordes, M.A. Sierra, M.P. Lopez-Alberca, E. Molins and S. Ricart
Synthesis of new polymetallic carbine complexes: Uracil analogs
Journal of Organometallic Chemistry, 690, (2005), pp. 6096-6100
133. J. Cabana, N. Dupré, G. Rousse, C.P. Grey and M.R. Palacín
Ex situ NMR and neutron diffraction study of structure and lithium motion in Li7MnN4
134. D. Muñoz-Rojas, J. Fraxedas, P. Gómez-Romero and N. Casañ-Pastor
Room temperature solid-state transformation from Ag2Cu2O3 to Ag2Cu2O4 by ozone oxidation
135. A.M. Peiró, J.A. Ayllón, J. Peral, X. Domènech and C. Domingo
Microwave activated chemical bath deposition (MW-CBD) of zinc oxide: Influence of bath
composition and substrate characteristics
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173
136. A. García-Raso, J.J. Fiol, A. Tasada, M.J. Prieto, V. Moreno, I. Mata, E. Molins, T. Bunič, A.
Golobič and I. Turel
Ruthenium complexes with purine derivatives: Syntheses, structural characterization and
preliminary studies with plasmidic DNA
Inorganic Chemistry Communications, 8, (2005), pp. 800-804
137. M. Burriel, G. Garcia, J. Santiso, A.N. Hansson, S. Linderoth and A. Figueras
Co3O4 protective coatings prepared by pulsed injection metal organic chemical vapour
deposition
Thin Solid Films, 473 (1), (2005), pp. 98-103
138. A.M. Peiró, C. Domingo, J. Peral, X. Domènech, E. Vigil, M.A. Hernández-Fenollosa, M. Mollar,
B. Marí and J.A. Ayllón
Nanostructured zinc oxide films grown from microwave activated aqueous solutions
Thin Solid Films, 483 (1-2), (2005), pp. 79-83
139. E. Vigil, B. González, I. Zumeta, C. Domingo, X. Doménech and J.A. Ayllon
Preparation of photoelectrodes with spectral response in the visible without applied bias
based on photochemically deposited copper oxide inside a porous titanium dioxide film
Thin Solid Films, 489 (1-2), (2005), pp. 50-55
140. M.R. Sundberg, S. Paavola, C. Viñas, F. Teixidor, R. Uggla and R. Kivekäs
Plasticity of the five-membered chelate ring in [PdCL2(1,2-(PR2)2-1,2-C2B10H10)] complexes (R
i
= H or Pr)
Inorganica Chimica Acta, 358 (6), (2005), pp. 2107-2111
141. M. Lira-Cantú, A. Morales-Sabio, A. Brustenga and P. Gómez-Romero
Electrochemical deposition of black nickel solar absorber coatings on stainless steel AISI316L
for thermal solar cells
Solar Energy Materials and Solar Cells, 87, (2005), pp. 685-694
142. A.K. Cuentas-Gallegos and P. Gómez-Romero
In-situ synthesis of polypyrrole-MnO2-x nanocomposite hybrids
Journal of New Materials for Electrochemical Systems, 8 (3), (2005), pp. 181-188
143. J. Cabana, C. Mercier, D. Gautier and M.R. Palacín
Synthesis and electrochemical study of antifluorite-type phases in the Li-M-N-O (M=Ti, V)
systems
Zeitschrift fur Anorganische und Allgemeine Chemie, 631, (2005), pp. 2136-2141
144. E. Vigil, I. Zumeta, J.A. Ayllon, B. González, X. Doménech and C. Domingo
Photovoltaic behaviour of structures based on nanocrystalline semiconductor oxides
Physica Status Solidi b, 242 (9), (2005), pp. 1807-1811
145. L. Narvaez, E. Cano and D.M. Bastidas
3-hydroxybenzoic acid as AISI 316L stainless steel corrosion inhibitor in a H2SO4-HF-H2O2
pickling solution
Journal of Applied Electrochemistry, 35 (5), (2005), pp. 499-506
146. P. Gómez-Romero, K. Cuentas-Gallegos, M. Lira-Cantú and N. Casañ-Pastor
Hybrid nanocomposite materials for energy storage and conversion applications
Journal of Materials Science, 40, (2005), pp. 1423-1428
147. L. Fernández-Carrasco, F. Puertas, M.T. Blanco-Varela, T. Vazquez and J. Rius
Synthesis and crystal structure solution of potassium dawsonite: An intermediate compound
in the alkaline hydrolysis of calcium aluminate cements
Cement and Concrete Research, 35, (2005), pp. 641-646
174
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IV. PUBLICATIONS
148. E. Cano, D.M. Bastidas, J. Simancas and J.M. Bastidas
Dicyclohexylamine nitrite as volatile corrosion inhibitor for steel in polluted environments
Corrosion, 61 (5), (2005), pp. 473-479
149. A. Gupta, S.B. Samanta, V.P. S. Awana, H. Kishan, A.M. Awasthi, S. Bharadwaj, A.V. Narlikar,
C. Frontera and J.L. Garcia-Muñoz
Direct evidence for charge ordering and electronic phase separation in BixSr1-xMnO3 at room
temperature
Physica B-Condensed Matter, 370, (2005), pp. 172-177
150. M. Casas-Cabanas, M.R. Palacín and J. Rodríguez- Carvajal
Microstructural analysis of nickel hydroxide: Anisotropic size versus stacking faults
Powder Diffraction, 20 (4), (2005), pp. 334-344
151. D. Nowak, M. Florek, J. Nowak, W. Kwiatek, J. Lekki, E. Zieba, P. G. Romero, B. Ben-Nissan
and A. Kuczumow
Micro-spectrometric investigations of inorganic components of the black corals for biomedical
applications
Bioceramics, 17, (2005), pp. 297-300
E.- Organic materials
152. C. Réthoré, N. Avarvari, E. Canadell, P. Auban-Senzier and M. Fourmigué
Chiral molecular metals: Syntheses, structures, and properties of the AsF6- salts of racemic
(+/–), (R)-, and (S)-tetrathiafulvalene-oxazoline derivatives
153. X. Ribas, M. Mas-Torrent, A. Pérez-Benítez, J.C. Dias, H. Alves, E.B. Lopes, R.T. Henriques,
E. Molins, I.C. Santos, K. Wurst, P. Foury-Leylekian, M. Almeida, J. Veciana and C. Rovira
Organic spin ladders from tetrathiafulvalene (TTF) derivatives
Advanced Functional Materials, 15, (2005), pp. 1023-1035
154. O.B. Borobia, P. Guionneau, H. Heise, F.H. Köhler, L. Ducasse, J. Vidal-Gancedo, J. Veciana,
S. Golhen, L. Ouahab and J.-P. Sutter
Discrepancy between the spin distribution and the magnetic ground state for a triaminoxyl
substituted triphenylphosphine oxide derivative
155. M. Mas-Torrent, P. Hadley, S.T. Bromley, N. Crivillers, J. Veciana and C. Rovira
Single-crystal organic field-effect transistors based on dibenzo-tetrathiafulvalene
156. A. Frontera, M. Orell, C. Garau, D. Quiñonero, E. Molins, I. Mata and J. Morey
Preparation, solid-state characterization, and computational study of a crown ether attached
to a squaramide
157. O. Bassas, N. Llor, M.M.M. Santos, R. Griera, E. Molins, M. Amat and J. Bosch
Biogenetically inspired enantioselective approach to indolo[2,3-a]- and benzo[a]quinolizidine
alkaloids from a synthetic equivalent of secologanin
158. D.B. Amabilino, J.-L. Serrano and J. Veciana
Reversible and irreversible conformational changes in poly(isocyanide)s: A remote
stereoelectronic effect
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175
159. J. Sly, P. Kasák, E. Gomar-Nadal, C. Rovira, L. Górriz, P. Thordarson, D.B. Amabilino, A.E. Rowan
and R.J.M. Nolte
Chiral molecular tapes from novel tetra(thiafulvalene-crown-ether)-substituted phthalocyanine
building blocks
160. N. Roques, D. Maspoch, N. Domingo, D. Ruiz-Molina, K. Wurst, J. Tejada, C. Rovira and J.
Veciana
Hydrogen-bonded self-assemblies in a polychlorotriphenylmethyl radical derivative substituted
with six meta-carboxylic acid groups
161. D. Maspoch, N. Domingo, D. Ruiz-Molina, K. Wurst, J.-M. Hernández, G. Vaughan, C. Rovira,
F. Lloret, J. Tejada and J. Veciana
Coexistence of ferro- and antiferromagnetic interactions in a metal-organic radical-based (6,
3)-helical network with large channels
162. E. Laukhina, V. Tkacheva, I. Chuev, R. Wojciechowski, J. Ulanski, J. Vidal-Gancedo, J. Veciana,
V. Laukhin and C. Rovira
Harnessing ICl reduction processes for synthesis of different BEDT-TTF-based molecular
conductors
163. S. Sala, N. Ventosa, T. Tassaing, M. Cano, Y. Danten, M. Besnard and J. Veciana
Synergistic enhancement of the solubility of hexamethylene-tetramine in subcritical CO2ethanol mixtures studied by infrared spectroscopy
ChemPhysChem, 6, (2005), pp. 587-590
164. D.B. Amabilino, E. Ramos, J.-L. Serrano, T. Sierra and J. Veciana
Chiral teleinduction in the polymerization of isocyanides
Polymer, 46, (2005), pp. 1507-1521
165. C. Hirel, J. Pécaut, S. Choua, P. Turek, D.B. Amabilino, J. Veciana and P. Rey
Enantiopure and racemic chiral nitronyl nitroxide free radicals: Synthesis and characterization
European Journal of Organic Chemistry, (2005), pp. 348-359
166. V. Lloveras, A. Caballero, A. Tárraga, M.D. Velasco, A. Espinosa, K. Wurst, D.J. Evans, J. VidalGancedo, C. Rovira, P. Molina and J. Veciana
Synthesis and characterization of radical cations derived from mono- and biferrocenylsubstituted 2-aza-1,3-butadienes: A study of the influence of an asymmetric and oxidizable
bridge on intramolecular electron transfer
European Journal of Inorganic Chemistry, 12, (2005), pp. 2436-2450
167. E. Evangelio and D. Ruiz-Molina
Valence tautomerism: New challenges for electroactive ligands
European Journal of Inorganic Chemistry, 15, (2005), pp. 2957-2971
168. D. Maspoch, N. Domingo, D. Ruiz-Molina, K. Wurst, J. Tejada, C. Rovira and J. Veciana
Carboxylic-substituted polychlortirphenylmethyl radicals, new organic building-blocks to design
nanosporous magnetic molecular materials
Comptes Rendus Chimie, 8 (8), (2005), pp. 1213-1225
169. M. Ramírez-Osuna, D. Chávez, L. Hernández, E. Molins, R. Somanathan and G. Aguirre
Synthesis of analogs of amathamide A and their preliminary antimicrobial activity
Molecules, 10, (2005), pp. 295-301
176
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IV. PUBLICATIONS
170. M. Ramírez-Cardona, L. Ventolà, T. Calvet, M.A. Cuevas-Diarte, J. Rius, J.M. Amigó and M.M.
Reventós
Crystal structure determination of 1-pentanol from low-temperature powder diffraction data
by Patterson search methods
Powder Diffraction, 20 (4), (2005), pp. 311-315
171. I. Mata, E. Rodríguez and E. Molins
3
Dodeca-µ2-hydroxo-di-µ3-oxo-hexakis(1,4,7-triazacyclonane-K N,N’,N’’)octairon(III) octabromide
octahydrate
Acta Crystallographica E, 61, (2005), pp. m1988-m1990
172. C. Sporer, I. Ratera, K. Wurst J. Vidal-Gancedo, D. Ruiz-Molina, C. Rovira and J. Veciana
Ferrocene triphenylmethyl radical donor–acceptor compounds. Towards the development of
multifunctional molecular switches
Arkivoc, Ix, (2005), pp. 104-114
F.- Methodologies,
characterization, optical
properties of materials
and crystal growth
173. R. Lindsay, A. Wander, A. Ernst, B. Montanari, G. Thornton and N.M. Harrison
Revisiting the surface structure of TiO2(110): A quantitative low-energy electron diffraction study
Physical Review Letter, 94, (2005), pp. 246102-1 - 246102-4
174. A. Cantín, A. Corma, S. Leiva, F. Rey, J. Rius and S. Valencia
Synthesis and structure of the bidimensional zeolite ITQ-32 with small and large pores
175. J. Santiso, J.A. Pardo, C. Solis, G. Garcia, A. Figueras, M.D. Rossell and G. Van Tendeloo
Strain relaxation and oxygen superstructure modulation in epitaxial Sr4Fe6O13±␦ films
176. D.G. de Oteyza, E. Barrena, J.O. Ossó, H. Dosch, S. Meyer and J. Pflaum
Controlled enhancement of the electron field-effect mobility of F16CuPc thin-film transistors
by use of functionalized SiO2 substrates
177. J. Rius-Palleiro, I. Peral, I. Margiolaki and X. Torrelles
Solving centrosymmetrical zeolites from powder diffraction data by combining the directmethods origin-free modulus sum function with the isomorphous replacement technique. X
Journal of Applied Crystallography, 38, (2005), pp. 906-911
178. S. Bahrs, J. Guimpel, A.R. Goñi, B. Maiorov, A. Fainstein, G. Nieva and C. Thomsen
Persistent photo-excitation in GdBa2Cu3O6.5 in a simultaneous Raman and electrical-transport
experiment
Physical Review B, 72 (14), (2005), pp. 144501-1 - 144501-6
179. O. Bikondoa, G.R. Castro, X. Torrelles, F. Wendler and W. Moritz
Surface-induced disorder on the clean Ni3Al(111) surface
180. G.A. Battiston, D. Berto, A. Convertino, D. Emiliani, A. Figueras, R. Gerbasi and S. Viticoli
PECVD of h-BN and c-BN films from boranedimethylamine as a single source precursor
Electrochimica Acta, 50 (23), (2005), pp. 4600-4604
181. I. Justicia, G. Garcia, G.A. Battiston, R. Gerbasi, F. Ager, M. Guerra, J. Caixach, J.A. Pardo, J.
Rivera and A. Figueras
Photocatalysis in the visible range of sub-stoichiometric anatase films prepared by MOCVD
Electrochimica Acta, 50 (23), (2005), pp. 4605-4608
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177
182. M.I. Alonso, M. de la Calle, J.O. Ossó, M. Garriga and A.R. Goñi
Strain and composition profiles of self-assembled Ge/Si(001) islands
183. E. György, J. Santiso, A. Figueras, A. Giannoudakos, M. Kompitsas and I. Mihailescu
Morphology evolution and local electric properties of Au nanoparticles on ZnO thin films
Journal of Applied Physics, 98 (8), (2005), pp. 084302-1 - 084302-4
184. M. Burriel, G. Garcia, J. Santiso, A. Abrutis, Z. Saltyte and A. Figueras
Growth kinetics, composition, and morphology of Co3O4 thin films prepared by the Pulsed
Liquid-Injection MOCVD
Chemical Vapor Deposition, 11 (2), (2005), pp. 106-111
185. J. Fraxedas, A. Verdaguer, F. Sanz, S. Baudron and P. Batail
Water nanodroplets confined in molecular nanobeakers
186. X. Torrelles, J. Zegenhagen, J. Rius, T. Gloege, L.X. Cao and W. Moritz
Atomic structure of a long-range ordered vicinal surface of SrTiO3
187. R. Pérez, D. Tournier, A. Pérez-Tomás, P. Godignon, N. Mestres and J. Millán
Planar edge termination design and technology considerations for 1.7kV 4H-SiC PiN diodes
IEEE Transactions on Electron Devices, 52 (10), (2005), pp. 2309-2316
188. R. Pérez, N. Mestres, D. Tournier, P. Godignon and J. Millán
Ni/Ti ohmic and Schottky contacts on 4H-SiC formed with a single thermal treatment
Diamond & Related Materials, 14, (2005), pp. 1146-1149
189. M. Salluzzo, A. Fragneto, G.M. de Luca, U. Scotti di Uccio and X. Torrelles
Surface an interface structure of Nd1.2Ba1.8Cu3Oy epitaxial films studied by grazing incidence
X-ray diffraction
Thin Solid Films, 486, (2005), pp. 178-181
190. E. György, J. Santiso, A. Giannoudakos, M. Kompitsas, I.N. Mihailescu and D. Pandelica
Growth of Al doped ZnO thin films by a synchronized two laser system
191. J. Nowak, M. Florek, W. Kwiatek, J. Lekki, P. Chevallier, E. Zieba, N. Mestres, E.M. Dutkiewicz
and A. Kuczumow
Composite structure of wood cells in petrified wood
Materials Science and Engineering C, 25, (2005), pp. 119-130
192. X. Perpiñà, X. Jordà, M. Vellvehí, J. Millán and N. Mestres
Development of an analogue processing circuit for IR-radiation power and noncontact position
measurements
Review of Scientific Instruments, 76, (2005), pp. 025106-1 - 025106-6
193. X. Perpinya, X. Jordà, F. Madrid, D. Flores, S. Hidalgo, M. Vellvehi and N. Mestres
Thermal calibration procedure for internal infrared laser deflection apparatus
Review of Scientific Instruments, 76, (2005), pp. 094905-1 - 094905-5
194. M.R.F. Siggel-King, R. Lindsay, T. J. Reddish and F.M. Quinn
TEARES: Toroidal energy- and angle-resolving electron spectrometer - results, recent
modifications and instrument performance
Journal of Electron Spectroscopy and Related Phenomena, 144-147, (2005), pp. 1005-1010
178
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IV. PUBLICATIONS
195. E.T. Gomez, T. Sanfeliu, J. Rius and M.M. Jordán
Evolution, sources and distribution of mineral particles and amorphous phase of atmospheric
aerosol in an industrial and Mediterranean coastal area
Water, Air, and Soil Pollution, 167 (1-4), (2005), pp. 311-330
196. R. Pérez, N. Mestres, J. Montserrat, D. Tournier and P. Godignon
Barrier inhomogeneities and electrical characteristics of Ni/Ti bilayer Schottky contacts on
4H-SiC after high temperature treatments
Physica Status Solidi a, 202 (4), (2005), pp. 692-697
197. S. Blanqué, J. Lyonnet, R. Pérez, P. Terziyska, S. Contreras, P. Godidgnon, N. Mestres, J.
Pascual and J. Camassel
Full wafer size investigation of N+ and P+ co-implanted layers in 4H-SiC
Physica Status Solidi a, 202 (4), (2005), pp. 698-704
198. M. Voelskow, D. Panknin, E.K. Polycroniadis, G. Ferro, P. Godignon, N. Mestres, W. Skorupa,
Y. Monteil and J. Stoemenos
+
Epitaxial SiC formation at the SiO2/Si interface by C implantation into SiO2 and subsequent
annealing
199. S. Blanqué, J. Lyonnet, J. Camassel, R. Pérez, P. Terziyska, S. Contreras, P. Godignon, N.
Mestres and J. Pascual
Homogeneity of nitrogen and phosphorus co-implants in 4H-SiC: Full wafer scale
investigation
200. A. Pérez Tomás, D. Tournier, P. Godignon, N. Mestres and J. Millán
4H-SiC MOS structures fabricated from RTCVD Si layers oxidized in diluted N2O
201. A. Pérez-Tomás, P. Godignon, N. Mestres, J. Montserrat and J. Millán
4H-SiC MOSFETs using thermal oxidized Ta2Si films as high-k gate dielectric
202. R. Pérez, N. Mestres, D. Tournier, X. Jordà, M. Vellvehi and P. Godignon
Temperature dependence of 4H-SiC JBS and schottky diodes after high temperature treatment
of contact metal
G.- Not included in JCR
(Journal Citation
Reports)
203. N. Ventosa, J. Veciana, S. Sala, M. Muntó, M. Cano and M. Gimeno
New technologies for the preparation of micro- and nanostructured materials with potential
applications in drug delivery and clinical diagnostics
Contributions to Science, 3 (1), (2005), pp. 11-18
204. J.A. Asensio and P. Gómez-Romero
Recent developments on proton conducting poly(2,5-benzimidazole) (ABPBI) membranes for
high temperature polymer electrolyte fuel cells
Fuel Cells, 5(3), (2005), pp. 336-343
205. J.L. Mozos, E. Machado, E.R. Hernandez and P. Ordejón
Nanotubes and nanowires: The effect of impurities and defects on their electronic
properties
International Journal of Nanotechnology, 2, (2005), pp. 114-128
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Página 179
206. M. Kompitsas, A. Giannodaukos, E. György, J. Santiso and D. Pantelica
Kontrollierte dotierung von Al:ZnO-Schichten durch PLD mit zwei lasern und zwei targets
Photonik, 2, (2005), pp. 58-61
207. D.B. Amabilino
Nanotech insight
Small, 1 (8-9), (2005), pp. 782-785
179
180
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Página 180
IV. PUBLICATIONS
Books, chapters of books and proceedings, 2004
1.
K. Cuentas-Gallegos, M. Lira-Cantú, N. Casañ-Pastor and P. Gómez-Romero
Electroactive Organic-Inorganic Hybrid Materials. From electrochemistry to Multifaceted
Applications
st
Trends in electrochemistry and corrosion at the beginning of the 21 century, E. Brillas
and P. Cabot eds., Barcelona (Spain): Publicacions de la Universitat de Barcelona, (2004),
pp. 243-258
2.
N. Casañ-Pastor, D. Muñoz-Rojas, J. Fraxedas and P. Gómez-Romero
On the electrochemical intercalation of oxygen in oxides: A case of useful corrosion and
stoichiometry control by electrochemical methods
st
Trends in electrochemistry and corrosion at the beginning of the 21 century, E. Brillas
and P. Cabot eds., Barcelona (Spain): Publicacions de la Universitat de Barcelona, (2004),
pp. 1167-1192
3.
D.B. Amabilino
Chemical Topology
Encyclopedia of Supramolecular Chemistry, J. Atwood and J. Steed eds., New York (U.S.A.):
Marcel Dekker Inc., (2004), pp. 229-235
4.
D.B. Amabilino and J. Veciana
Chiral Induction
Encyclopedia of Supramolecular Chemistry, J. Atwood and J. Steed eds., New York (U.S.A.):
Marcel Dekker Inc., (2004), pp. 245-252
5.
Possible inconsistencies on the calculation of interfacial properties by molecular simulation
Simu 2004- Bridging the Scales, European Science Fundation ESF, Cecam and University
of Konstanz, Génova (Italy), Vol. 1, (2004), pp. 20
6.
F.L. Llovell, J.C. Pàmies, D. Duque and L.F. Vega
Interfacial properties of Lennard-Jones chains by direct MD simulations and density gradient
theory
7.
C. Herdes, J.C. Pàmies, R.M. Marcos and L.F. Vega
Aggregate formation by surfactant-like molecules from Monte Carlo simulations and theory
8.
The duality Molecular Simulations-Experiments as reliable tools for accurate characterization
of adsorbent materials
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BOOKS, CHAPTERS OF BOOKS AND PROCEEDINGS, 2004
181
9.
M.J. Sánchez-Montero, F. Salvador, C. Herdes and L.F. Vega
New insights into the adsorption isotherm interpretation by a coupled molecular simulationexperimental procedure
ISSHAC-5 Proceedings, Fifth internacional Symposium on Surface Heterogeneity Effects in
Adsorption and Catalysis on Solids, M. Drach ed., Gdansk (Poland), Vol. 1, (2004), pp. 63-64
10.
Search for a reliable methodology for psd analysis based on a combined molecular
simulation-experimental approach. The case of Hexagonal Mesoporous Silicas
ISSHAC-5 Proceedings, Fifth internacional Symposium on Surface Heterogeneity Effects
in Adsorption and Catalysis on Solids, M. Drach ed., Gdansk (Poland), Vol. 1, (2004),
pp. 85-86
11.
S. Piñol, D.M. Bastidas and A. Cavallaro
Síntesis y caracterización de electrolitos de base ceria preparados por el método sol-gel del
acetil-acetonato
Workshop Red de Pilas de Combustible y Baterías Avanzadas, CSIC-Universidad, Madrid:
Ministerio de Ciencia y Tecnología, CSIC, (2004), pp. 237-242
12.
B. Ballesteros, M. Lira-Cantú and P. Gómez-Romero
Materiales alternativos para IT-SOFC
13.
P. Gómez-Romero, J.A. Asensio and S. Borros
Membranas Poliméricas e Híbridas basadas en Polibenzimidazoles para pilas de combustible
PEM
14.
K. Cuentas-Gallegos and P. Gómez-Romero
Materiales híbridos moleculares nanocompuestos para su aplicación en celdas electroquímicas
supercapacitivas de estado sólido
15.
J. Rius and X. Alcobé
The blue mineral pigment aerinite studied at high temperature with laboratory powder
diffraction data
EPDIC IX Lectures. European Powder Diffraction Conference, Materials Structure, Czech
and Slovak Crystallographic Association, vol. 11 (1), (2004), pp. 72
16.
A. Pérez-Tomas, P. Godignon, N. Mestres, D. Tournier, J. Montserrat and J. Millán
4H-SiC MIS Structures Using Oxidized Ta2Si as High-k Dielectric
Silicon Carbide Materials, Processing and Devices, Materials Research Society Symposium
Proceedings, M. Dudley, P. Gouma, P.G. Neudeck, T. Kimoto and S.E. Saddow eds., vol. 815,
(2004), pp. J3.2.1-J3.2.6
17.
P. Godignon, R. Pérez, D. Tournier, N. Mestres, H. Mank and D. Turover
SiC Power Diodes Improved by Fine Surface Polishing
Silicon Carbide Materials, Processing and Devices, Materials Research Society Symposium
Proceedings, M. Dudley, P. Gouma, P.G. Neudeck, T. Kimoto, S.E. Saddow eds., vol. 815,
(2004), pp. J5.12.1-J5.12.6
182
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IV. PUBLICATIONS
18.
X. Perpiñà, X. Jordà, P. Godignon, J. Millán, H. von Kiedrowski, J. Vobecký and N. Mestres
Direct Measurement of Self-heating Effects at the Drift Region of 600V PT-IGBTs
Proceedings of the 24th International Conference on Microelectronics (MIEL’04), (2004),
pp. 149-152
19.
X. Perpiñà, X. Jordà, F. Madrid, D. Flores, S. Hidalgo and N. Mestres
Measuring Device Internal Temperature By Means of IIR-LD Technique
Proceedings of the 24th conference on Electronique de Puissance du Futur EPF’04, (2004),
pp. 137-140
20.
X. Perpiñà, X. Jordà, F. Madrid, S. Hidalgo, D. Flores, M. Vellvehi and N. Mestres
A Calibration Procedure for an IIR-LD Equipment using a Thermal Test Chip and an Analitical
Model
Proceedings of the 10th International Workshop on Thermal Investigations of ICs and
Systems THERMINIC 04, B. Courtois, M. Rencz, C. Lasance and V. Szekely eds., TIMA
Laboratory, (2004), pp. 251-255
21.
A. Pérez-Tomás, P. Godignon, D. Tournier, N. Mestres and J. Millán
Gate Oxides on 4H-SiC Substrates Grown or Annealed in N2O/Ar Mixture
CAS 2004 Proceedings, (2004), pp. 333-336
22.
X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, S. Piñol, N. Mestres, O. Castaño, M. Coll,
A. Cavallaro, A. Palau, J. Gázquez, J.C. González, J. Gutiérrez, N. Romà, S. Ricart, J.M. Moretó,
M.D. Rossell and G. van Tendeloo
Solution chemistry: A path towards low cost coated conductors
and G.Masullo eds., IOP Publishing Ltd., vol. 181, (2004), pp. 239-244
23.
A. Alvarez, P. Suárez, D. Cáceres, X. Granados, R. Bosch, J.M. Ceballos and M. Torres
A model of a disk-shaped superconducting rotor working under an axial rotating magnetic
field
24.
J. Gàzquez, A. Cavallaro, F. Sandiumenge, O. Castaño, T. Puig and X. Obradors
Chemical solution growth of CeO2 epitaxial nanometric film on (001)-YSZ single crystal substrates
25.
J. López, X. Granados, R. Bosch and X. Obradors
Hall analysis system for magnetic analysis of armatures for HTS motors
and G.Masullo eds., IOP Publishing Ltd., vol. 181, (2004), pp. 3573-3579, ISBN 0750309814
26.
E. Loste, J. Fraile and C. Domingo
Self-assembling silane monolayer obtained by a supercritical CO2 anhydrous method
Actas VIII congreso Nacional de Materiales - Valencia 2004, Valencia (Spain): Editorial de
la Universidad Politécnica de Valencia, (2004), pp. 1179-1184
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183
27.
M. Segarra, X.G. Capdevila, J. Folch and S. Piñol
New Method to Prepare Electrolytes for SOFC
Sixth European Solid Oxide Fuel Cell Forum, Morgen and Morgensen eds., Vol. 3, (2004),
pp. 1083-1092
28.
S. Piñol, D.M. Bastidas, A. Cavallaro and X.G. Capdevila
Synthesis and Microstructural Characterization of Ceria-Based Electrolytes prepared by the
Acetil-Acetonate Sol-Gel Method
Sixth European Solid Oxide Fuel Cell Forum, Morgen and Morgensen eds., Vol. 3, (2004),
pp. 1110-1118
184
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Página 184
IV. PUBLICATIONS
Books, chapters of books and proceedings, 2005
1.
F. Teixidor and C. Viñas
Carboranes and Metallacarboranes
Science of Synthesis, Houben-Weyl Methods of Molecular Transformations, D.E. Kaufmann
and D. S. Matteson eds., Stuttgart-New York: Georg Thieme Verlag, (2005), cap. 40, vol. 6,
pp. 1235-1275
2.
X. Obradors, T. Puig, A. Pomar, F. Sandiumenge and N. Mestres
Growth and microstructure of high critical current YBa2Cu3O7 thin films based on trifluoracetate
metal-organic precursors
Studies of High Temperature Superconductors, A.V. Narlikar eds., New York: Nova Science
Publishers, (2005), vol. 49, pp. 79-123
3.
D. Maspoch, D. Ruiz-Molina and J. Veciana
Magnetic Nanoporous Molecular Materials
Magnetism: Molecules to Materials V, J.S. Miller and M. Drillon eds., Weinheim: Wiley-VCH,
Vol. 5, (2005), 261-282
4.
M. Gimeno, N. Ventosa, J Y. Boumghar, N. Fournier, I. Boucher and J. Veciana
Micronization of the Chitin/Chitosan monomer derivatives by dense gas anti-solvent precipitation
techniques
Advances in Chitin Science, H. Strusczyk, A. Domard, M.G. Peter and H. Pospieszny eds.,
Poznan (Poland): Institut of Plant Protection, Vol. VIII, (2005), pp. 231-235
5.
L.F. Vega, C. Herdes and M.A. Santos
Development and validation of a methodology for the reliable characterization of porous
materials
Annales. Universitatis Mariae Curie-Sklodowska. Sectio AA. Chemia, W. Rudzinski eds.,
Lublin: Uniwersytet Marii Curie-Sklodowskiej, Vol. LX (7), (2005), pp. 93-118
6.
J. Fraxedas
Preparation and characterization of thin molecular organic films
Plasma polymers and related materials, M. Mutlu, G. Dinescu, R. Förch, J.M. Martín-Martínez
and J. Vyskocil eds., Hacettepe University press, (2005), pp. 9-16
7.
E. Canadell
Electronic structure of solids
Encyclopedia of Inorganic Chemistry, 2nd edition, R.B. King eds., J. Wiley & Sons Publ.,
(2005), pp. 1480-1506
8.
A.M.A. Dias, J.C. Pàmies, H. Carrier, J.L. Daridon, J.A.P. Coutinho, I.M. Marrucho and L. F.
Vega
Critical behaviour of CO2/perfluoroalkane mixture
Proceedings 21st European Symposium on Applied Thermodynamics, U. Domaƒska-˚elazna
and S.K. Malanowski eds., Warszawa: Instytut Chemii Fizycznej PAN, (2005), pp. 52-54
9.
N. Pedrosa, J.C. Pàmies, L.F. Vega, J.A.P. Coutinho and I.M. Marrucho
The phase equilibria of ethylene glycols studied with the soft-SAFT equation of state
·
Proceedings 21st European Symposium on Applied Thermodynamics, U. Domaríska-Zelazna
21/2/08
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185
10.
A.M.A. Dias, J.C. Pàmies, L.F. Vega, J.A.P. Coutinho and I.M. Marrucho
Solubility of oxygen in substituted perfluorocarbons
·
Proceedings 21st European Symposium on Applied Thermodynamics, U. Domaríska-Zelazna
11.
M.V. Cagnoli, N.G Gallegos, J.F. Bengoa, A.M. Alvarez, S.M.J. Moreno, A. Roig, S.G. Marchetti
and R.C. Mercader
Prospects of Fe/MCM-41 as a Catalysts for Hydrocarbon Synthesis
AIP Conference Proceedings, Industrial Applications of the Mössbauer Effect, M. Gracia,
J.F. Marco and F. Plazaola eds., American Institute of Physics, CP765, (2005), pp. 13-22
12.
L. F. Vega, J.C. Pàmies, F. Llovell, C. Herdes, D. Duque and R.M. Marcos
A molecular-based equation of state for process engineering
European Symposium on Computer Aided Chemical Engineering - 15, L. Puigjaner and A.
Espuña eds., Elsevier, (2005), pp. 505-510
13.
A. Pérez-Tomas, P. Godignon, N. Mestres, D. Tournier and J. Millán
A study of the influence of N2O and N2 annealing processes on 4H-SiC MOS structures with
deposited TEOS SiO2 as gate oxide
Spanish Conference on Electron Devices 2005, IEEE press, (2005), pp. 79-82
14.
C. Domingo, A.M. López-Periago and E. Loste
Self-assembled silane monolayer on the surface of nanometric particles obtained using a
supercritical treatment
Abstracts of the 10th European Meeting on Supercritical Fluids. Reactions, Materials and
Natural Products Processing, Institut National Polytechnique de Lorraine, (2005). pp. Mn1
15.
C.A. García-González, A. Hidalgo, C. Andrade, C. Alonso, J. Fraile and C. Domingo
Low pH concretes processed using SCCO2: Applications in nuclear waste storage devices
Abstracts of the 10th European Meeting on Supercritical Fluids. Reactions, Materials and
Natural Products Processing, Institut National Polytechnique de Lorraine, (2005). pp. Pr4
16.
E. György, G. Socol, I.N. Mihailescu, J. Santiso, C. Ducu and S. Ciuca
Pulsed laser deposited zinc oxide thin films for optical gas sensor applications
13th International School on Quantum Electronics: Laser physics and applications,
Proceedings of SPIE, P.A. Atanasov, S.V. Gateva, L.A. Avramov and A.A. Serafetinides eds.,
Bellingham: SPIE, vol. 5830, (2005), pp. 50-54
17.
A. Pérez-Tomás, P. Godignon, N. Mestres, J. Montserrat and J. Millán
A study of the thermal oxidation of TaSi2 and Ta2Si Silicides to form dielectric layers for MIS
structures on 4H-SiC
CAS 2005 Proceedings, 2005 International Semiconductor Conference, IEEE press, vol.2,
(2005), pp. 353-356
18.
M. Placidi, P. Godignon, N. Mestres, J. Esteve, G. Ferro, A. Leycuras and T. Chassagne
Fabrication of electrostatic resonators with monocristaline 3C SiC grown on silicon
CAS 2005 Proceedings, 2005 International Semiconductor Conference, IEEE press, vol.2,
(2005), pp. 361-364
19.
X. Perpiñá, X. Jordà, M. Vellvehi, P. Godignon, J. Millán and N. Mestres
Non-contact position and power radiation sensing system for IIR-LD equipments
Proceedings del Seminario Anual de Automática, Electrónica Industrial e Instrumentación
SAAEI’05, (2005), pp. 455-458
186
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IV. PUBLICATIONS
20.
X. Perpiñá, X. Jordà, J. Vobecký, M. Vellvehi, J. Millán and N. Mestres
Experimental determination of lifetime engineering effects on free-carrier concentration
Prooceedings of the 11th European Conference on Power Electronics and Applications
EPE’05, (2005), pp.1-8
21.
K. Cuentas-Gallegos, M. Lira-Cantú, N. Casañ-Pastor, J.A. Asensio and P. Gómez-Romero
Hybrid materials approach in the design of electrodes and electrolytes for energy storage
and conversion
Organic/Inorganic Hybrid Materials-2004, C. Sanchez, U. Schubert, R.M. Laine and Y. Chujo
eds., Warrendale, Materials Research Society Symposium Proceedings, 847, (2005), EE12.4.1EE12.4.8
22.
A. Pomar, M. Coll, A. Cavallaro, J. Gàzquez, N. Mestres, F. Sandiumenge, T. Puig and X.
Obradors
Interface control in All MOD coated conductors: Influence on critical currents
Recent Advances in Superconductivity-Materials Synthesis, Multiscale Characterization,
and Functionally Layered Composite Conductors, T. Holesinger, T. Izumi, J.L. MacManusDriscoll, D. Miller and W. Wong-Ng eds., Warrendale, Materials Research Society Symposium
Proceedings, 868E, (2005), pp. C6.6.1-C6.6.12
23.
F. Sandiumenge, A. Cavallaro, M. Coll, J. Gàzquez, T. Puig, A. Pomar, N. Romà, N. Mestres
and X. Obradors
Growth mechanism and opmization of MOD CeO2 buffer layers for TFA YBa2Cu3O7/CeO2
multilayers
Recent Advances in Superconductivity-Materials Synthesis, Multiscale Characterization,
and Functionally Layered Composite Conductors, T. Holesinger, T. Izumi, J.L. MacManusDriscoll, D. Miller and W. Wong-Ng eds., Warrendale, Materials Research Society Symposium
Proceedings, 868E, (2005), pp. C6.8.1-C6.8.6
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POPULAR PRESS ARTICLES, 2004
Popular press articles, 2004
1.
J. Rius
Resolta l’estructura de l’aerinita. El misteriós blau del romànic català
R+D CSIC, 2 de febrer de 2004
http://www.dicat.csic.es/rdcsic/rdma20cat.htm
2.
X. Granados, X. Obradors and T. Puig
Los superconductores: Protecciones eléctricas del siglo XX
Ciencia y Tecnología, Ed. Tibidabo, (2004), pp. 134-137
3.
P. Gómez-Romero
¿Pot ser l’hidrogen l’alternativa al petroli?
Avui, 10 de enero de 2004, pp. 30
4.
P. Gómez-Romero
Energía verde para un planeta azul
Universidad de la Rioja. Asociación de Investigadores y Tecnólogos de La Rioja
http://www.unirioja.es/aitri/certamenresolucion.pdf. Mayo 2004
187
188
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IV. PUBLICATIONS
Popular press articles, 2005
1.
J. Rius
Aerinita: Resolución de su estructura cristalina
Investigación y Ciencia, (Edición Española de Scientific American), abril 2005, pp. 33-34
2.
S. Piñol
Crecimiento epitaxial de láminas delgadas metálicas y cerámicas sobre sustratos metálicos
texturados
Deformación Metálica, noviembre-diciembre 2005, pp. 55-61
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Página 189
PATENTS, 2004-2005
189
Patents, 2004-2005
1.
Joined product of REBa2Cu3O7 superconducting textured ceramics , where RE means rare
Earth or Yttrium, and joining process using Ag foils as welding agent
Applicant: Nexans Superconductors (Germany)
Inventor: X. Obradors, T. Puig, X. Granados, S. Iliescu, E. Bartolomé and A.E. Carrillo
Application number: 200300081. Extended to all the world
Year: 2004
2.
Metodo per la realizzazione di un film sottile di composizione chimica spazialmente strutturata
su scala micrometrica o nanometrica su un supporto
Applicant: M. Cavallini, F. Biscarini and CSIC
Inventor: M. Cavallini, F. Biscarini, D. Ruiz-Molina, J. Gómez and J. Veciana
Application number: BO2004A000076 - Italy
Year: 2004
3.
Method for precipitating finely divided solid particles
Applicant: Sociedad Española de Carburos Metálicos, S.A.
Inventor: N. Ventosa, J. Veciana, C. Rovira and S. Sala
Application number: WO2001 ES00327 2001 082 (international)
Year: 2004
4.
Cintas superconductoras multicapa preparadas mediante deposición de disoluciones químicas
Applicant: CSIC
Inventor: X. Obradors, T. Puig, F. Sandiumenge, S. Piñol, N. Mestres, A. Pomar, O. Castaño,
A. Cavallaro, M. Coll, J. Gázquez, J.C. González, J. Gutiérrez, A. Palau and A. Hassini
Application number: 200500702 - España
Year: 2005
5.
Preparación de precursores metalorgánicos anhidros y uso para la deposición y crecimiento
de capas y cintas superconductoras
Applicant: CSIC
Inventor: X. Obradors, T. Puig, S. Ricart, N. Romà, J.M. Moretó, A. Pomar, K. Zalamova, J.
Gázquez and F. Sandiumenge
Application number: 200500749 - España
Year: 2005
6.
Procedimiento para la obtención de sistems micro-y nanodispersos
Applicant: SE de Carburos Metálicos, S.A.
Inventor: N. Ventosa, J. Veciana, S. Sala and M. Cano
Application number: ES P200500172 - España
Year: 2005
7.
Procedimiento para la obtención de patrones en un sustrato orgánico conductor y material
de naturaleza así obtenido
Applicant: CSIC, ICFO and ICREA
Inventor: J. Veciana, C. Rovira, E. Laukhina, M. Mas-Torrent, V. Laukhin, C. Creely and D.
Petrov
Year: 2005
190
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Página 190
IV. PUBLICATIONS
8.
Procedimiento para la obtención de materiales compuestos
Applicant: Activery Biotech, S.L.
Inventor: N. Ventosa, J. Veciana and M. Muntó
Year: 2005
9.
Portable solar dosimeter and oxygen sensor
Applicant: CSIC and RISO National Laboratory (Denmark)
Inventor: M. Lira-Cantú and F.C. Krebs
Application number: GB 0509767.0 - United Kingdom
Year: 2005
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Página 191
V
Research activities
192
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V RESEARCH ACTIVITIES
Scientific projects and contracts, 2004-2005
Spanish government
funded projects
Optimización de la materia activa positiva en baterías alcalinas de níquel para aplicaciones
industriales y de automoción
Ministerio de Educación y Cultura, MAT2000-0128-P4-03, 2001-2004, Dr. M. Rosa Palacín Peiró
Preparación de cintas superconductoras texturadas biaxialmente de YBaCuO sobre Ag laminada
Ministerio de Educación y Cultura, MAT2000-1672-C02-01, 2001-2004, Dr. Salvador Piñol Vidal
Los clústeres de boro como alternativa a considerar en química y ciencia de materiales
Ministerio de Ciencia y Tecnología, MAT2001-1575, 2001-2004, Dr. Clara Viñas Teixidor
Anisotropía óptica en capas delgadas epitaxiales y nanoestructurales de materiales orgánicos
Ministerio de Ciencia y Tecnología, MAT2001-1873, 2002-2004, Dr. Miquel Garriga Bacardí
Materiales magnéticos moleculares: Materiales magnéticos multifuncionales y moléculas biestables
para la electrónica molecular
Ministerio de Ciencia y Tecnología, MAT2001-3507-C02-01, 2001-2004, Dr. David Brian Amabilino,
Coordinator: Dr. Eugenio Coronado
Desarrollo y aplicación de técnicas de modelado molecular para la predicción fiable de propiedades
termodinámicas y de transporte de fluidos de interés industrial
Ministerio de Ciencia y Tecnología, PPQ2001-0671, 2001-2004, Dr. Mª Lourdes Vega Fernández
and Dr. Allan Mackie
Tecnologías productivas empleando fluidos comprimidos, Red FLUCOMP
Ministerio de Ciencia y Tecnología, PPQ2001-4817-E, 2003-2005, Prof. Jaume Veciana Miró
Nanoimanes moleculares
Ministerio de Ciencia y Tecnología, MAT2002-00433, 2003-2005, Dr. Daniel Ruiz-Molina
Nuevos derivados no oxídicos de metales de transición y tierras raras como materiales
superconductores y electroactivos
Ministerio de Ciencia y Tecnología, MAT2002-00439, 2003-2005, Dr. Amparo Fuertes Miquel
Cintas superconductores epitaxiales de YBCO: Crecimiento mediante técnicas sol-gel, nanoestructura
y transporte eléctrico
Ministerio de Ciencia y Tecnología, MAT2002-02642, 2003-2005, Dr. Teresa Puig Molina
Obtención de películas delgadas mediante PLD de materiales óxidos conductores iónicos de
oxígeno para su aplicación como componentes de pilas de combustible de temperatura intermedia
Ministerio de Ciencia y Tecnología, MAT2002-03075, 2003-2005, Dr. José Santiso López
Fabricación de materiales superconductores: Aspectos químicos de la estequiometría y
electrodeposición de Ag
Ministerio de Ciencia y Tecnología, MAT2002-04121-C03-03 y 02, 2003-2006, Dr. Nieves Casañ
Pastor, Coordinators: Dr. Luís Alberto Angurel and Dr. José Manuel Andrés Gimeno
Materiales orgánico-inorgánicos nanoestructurados para almacenamiento y conversión de energía
Ministerio de Ciencia y Tecnología, MAT2002-04529-C03, 2003-2005, Dr. Pedro Gómez Romero
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SCIENTIFIC PROJECTS AND CONTRACTS, 2004-2005
193
Nuevos óxidos y dispositivos para telecomunicaciones y magnetoelectrónica
Ministerio de Ciencia y Tecnología, MAT2002-04551-C03, 2003-2005, Prof. Josep Fontcuberta Griñó
Assembly and Manipulation of FUNctional SupraMolecular Nano-ARchitectures at Surfaces
Ministerio de Ciencia y Tecnología, EUROCORES Programme SONS, MAT2002-12018-E, 20032006, Prof. Jaume Veciana Miró, Coordinator: Mario Ruben
Deposición de películas delgadas mediante plasma para mejorar la adhesión de cauchos sintéticos
Ministerio de Ciencia y Tecnología, MAT 2002-12463, 2002-2005, Mrs. Susana Garelik Rojsen,
Coordinator: José Miguel Martín Martínez
Actualización del espectrómetro de RPE del ICMAB
Ministerio de Ciencia y Tecnología, BQU2002-12075E, 2004-2004, Prof. Jaume Veciana Miró
th
15 years of the SAFT equation
Ministerio de Ciencia y Tecnología, PPQ2002-12909-E, 2003-2004, Dr. Mª Lourdes Vega Fernández
Caracterización y control de las propiedades electrónicas, vibracionales y estructurales de moléculas
individuales y capas orgánicas delgadas
Ministerio de Ciencia y Tecnología, TIC2002-04280-C03-03, 2002-2005, Dr. Jordi Fraxedas Calduch
Propiedades optoelectronicas de nanoestructuras tensadas epitaxiales de semiconductores tipo
IV
Ministerio de Ciencia y Tecnología, MAT2003-00738, 2004-2006, Dr. Maria Isabel Alonso Carmona
Diseño, síntesis, preparación y relación estructura-propiedad en aerogeles nanocompuestos y en
capas
Ministerio de Ciencia y Tecnología, MAT2003-1052, 2003-2006, Prof. Elies Molins Grau
Nuevas estrategias de nanoestructuración de defectos en superconductores de alta temperatura
para aplicaciones de corrientes críticas elevadas
Ministerio de Ciencia y Tecnología, MAT2003-01584, 2003-2006, Dr. Felip Sandiumenge Ortiz
Nanoestructuración, magnetismo y transporte en óxidos ferromagnéticos: Ingeniería de uniones
Ministerio de Ciencia y Tecnología, MAT2003-04161, 2003-2006, Prof. Benjamín Martínez Perea
Nanomateriales moleculares magnéticos multifuncionales
Ministerio de Ciencia y Tecnología, MAT2003-04699, 2003-2006, Prof. Jaume Veciana Miró
Desarrollo de nuevos óxidos cerámicos conductores para pilas de combustible-SOFC y magnetoelectrónica
Ministerio de Ciencia y Tecnología, MAT2003-07483-C02-02, 2003-2006, Dr. José Luís GarcíaMuñoz
Organización supramolecular de moléculas orgánicas en cristales, capas, y hilos
Ministerio de Ciencia y Tecnología, BQU2003-00760, 2003-2006, Dr. David Brian Amabilino
Desarrollo y aplicación de métodos eficientes de simulación cecano-cuántica en materiales
complejos, nanoestructuras y biomoléculas
Ministerio de Ciencia y Tecnología, BFM2003-03372-C03, 2004-2006, Prof. Pablo Ordejón Rontomé
Tecnología de superficie sostenible para la preparación de materiales multifuncionales
Ministerio de Ciencia y Tecnología, MAT2004-00306-E, 2005, Dr. Concepción Domingo Pascual
Los clústeres de boro como alternativa a considerar en química y ciencia de materiales(2)
Ministerio de Ciencia y Tecnología, MAT2004-01108, 2004-2006, Dr. Clara Viñas Teixidor
194
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Soportes poliméricos para ingeniería de tejidos y dosificación controlada de compuestos bioactivos
Ministerio de Ciencia y Tecnología, MAT2004-01654, 2004-2007, Dr. Concepción Domingo Pascual,
Coordinator: Dr. Alberto Gallardo
Partículas nanométricas ordenadas para el guiado de luz por túnel óptico
Ministerio de Ciencia y Tecnología, MAT2004-05526, 2004-2007, Dr. Narcís Mestres Andreu,
Coordinator: Dr. Francesc Alsina
Acción complementaria para la puesta en marcha del convenio de cooperación ESRF-ICMAB
Ministerio de Ciencia y Tecnología, MAT2004-21191-E, 2005-2008, Dr. Xavier Torrelles Albareda
Nanodispositivos para la manipulación de spins
Ministerio de Ciencia y Tecnología, NAN2004-09094-C03-01, 2005-2008, Prof. Josep Fontcuberta
Griñó
Nanocomposites multifuncionales por vía química: Superconductividad, magnetismo y óptica
Ministerio de Ciencia y Tecnología, NAN2004-09133-C03-01, 2006-2008, Prof. Xavier Obradors
Berenguer
Preparación y caracterización de nuevos materiales nanoestructurados para la liberación controlada
de fármacos
Ministerio de Ciencia y Tecnología, NAN2004-09159-C04, 2005-2008, Prof. Jaume Veciana Miró
Caracterización de las propiedades físicas de nanotubos de carbono
Ministerio de Ciencia y Tecnología, NAN2004-09306-C05-02, 2005-2008, Dr. Jordi Fraxedas Calduch,
Coordinator: Dr. Francesc Pérez-Murano
Diseño racional de materiales y procesos con fluidos supercríticos mediante modelado molecular
Ministerio de Ciencia y Tecnología, CTQ2004-05985-C02-01, 2004-2005, Dr. Mª Lourdes Vega
Fernández
Hacia un calorímetro europeo para la misión global de Rayos X: Actividades preparatorias
Ministerio de Ciencia y Tecnología, ESP2004-21934-E, 2005-2007, Dr. Lourdes Fàbrega Sánchez
Desarrollo de una nueva metodología de difracción de polvo para la determinación de las estructuras
cristalinas de materiales zeolíticos de gran volumen de poro
Ministerio de Educación y Ciencia, MAT2005-01736, 2005-2007, Prof. Jordi Rius Palleiro
Nanoestructuración artificial de superconductores mediante procesos químicos
Ministerio de Educación y Ciencia, MAT2005-02047, 2005-2008, Dr. Teresa Puig Molina
Thin film nanostructures of ionic conducting materials for electrochemical devices: Film deposition
and charge transport characterisation
Ministerio de Educación y Ciencia, MAT-2005-02601, 2005-2008, Dr. José Santiso López
Orden y desorden en sistemas nitrurados de aniones mixtos: Efecto sobre procesos de intercalación,
actividad electroquímica y propiedades de transporte
Ministerio de Educación y Ciencia, MAT2005-03925, 2005-2009, Dr. M. Rosa Palacín Peiró
Arquitecturas multifuncionales heteroepitaxiales basadas en óxidos
Ministerio de Educación y Ciencia, MAT2005-05656-C04-01, 2005-2008, Prof. Josep Fontcuberta
Griñó
Materiales electroactivos funcionales: Nuevos materiales, energía y bioactividad
Ministerio de Educación y Ciencia, MAT2005-07683-C02-01, 2005-2008, Dr. Nieves Casañ-Pastor
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195
Modelado molecular aplicado al diseño racional de nuevos procesos y materiales de interés
industrial
Ministerio de Educación y Ciencia, CTQ2005-00296/PPQ, 2005-2008, Dr. Mª Lourdes Vega
Fernández
Estudio del reconocimiento biomolecular mediante polímeros electrocromos en microdispositivos
de silicio
CSIC, 200460F0036, 2004-2005, Prof. Francesc Teixidor Bombardó
Desarrollo de microsistemas en carburo de silicio para aplicaciones biomédicas
CSIC, 200460F0226, 2004-2005, Dr. Narcís Mestres Andreu, Coordinator: José Millán
Producción de H2 por descomposición de agua mediante fotocatalizadores activados por luz visible
CSIC, 200460F0231, 2004-2005, Prof. Albert Figueras Dagà
Crecimiento asistido por nanoplantillas de nanoestructuras multifuncionales a partir de soluciones
químicas
CSIC, 200560F0011-15, 2005-2007, Prof. Xavier Obradors Berenguer
Crecimiento unidireccional de nanotubos de carbono para su integración en dispositivos y circuitos
electrónicos
CSIC, 200580FF0153, 2005-2007, Dr. Jordi Fraxedas Calduch, Coordinator: Prof. Emilio LoraTamayo
Nanoestructuras magnéticas ordenadas con aplicación en dispositivos biosensores optomagnéticos
CSIC, 2005-2007, Dr. Lluís Balcells Argemí, Coordinator: Prof. Manuel Vázquez Villalabeitia
Separación de fases e inhomogeneidades electónicas en manganitas
CSIC, Acción Integrada, 2003PL0010, 2003-2004, Prof. Josep Fontcuberta Griñó and Dr. Ewa
Jedryka
The effect of reduced dimensionality on the magnetic properties of Fe-based nanostructures
´
CSIC, Acción Integrada, 2003PL0012, 2003-2004, Prof. Elies Molins Grau and Dr. Anna SlawskaWaniewska
Superredes y microcavidades de SiGe/Si
CSIC, Acción Integrada, 2004AR0076, 2004-2005, Dr. Miquel Garriga Bacardí
Propiedades electrónicas y estructura de bandas de superconductores orgánicos de baja
dimensionalidad
CSIC, Acción Integrada, 2004FR0002, 2004-2005, Prof. Enric Canadell Casanova and Pr. Alain
Audouard
Magnetic nanostructures: Ferrofluids, surface modified nanoparticles and metal-organic complexes
for applications in medicine and magneto-optics
´
CSIC, Acción Integrada, 2004PL0009, 2005-2006, .Dr. Anna Roig Serra and Dr. Anna SlawskaWaniewska
Structural, electrical and optical characterization of advanced semiconducting and superconducting
oxides and layered structures
CSIC, Acción Integrada, 2004SK0001, 2004-2005, Dr. Maria Isabel Alonso Carmona
Materiales híbridos funcionales
CSIC, Acción Integrada, 2005-2006, Dr. Pedro Gómez Romero and Dr. Guillermo González
196
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Hydrogen bronzes: Structure, properties and dynamics
Ministerio de Ciencia y Tecnología, Acción Integrada, HA2002-0095, 2003-2004, Prof. Enric Canadell
Casanova and Pr. Stefan Adams
Merging calixarenes and boron clusters. An approach to charge self-compensating ligands
Ministerio de Ciencia y Tecnología, Acción Integrada, HB2002-0106, 2003-2004, Prof. Francesc
Teixidor Bombardó
Magnetoelectrónica: Nuevos conceptos y materiales para el filtrado de espines
Ministerio de Ciencia y Tecnología, Acción Integrada, HF2002-0090, 2003-2004, Prof. Josep
Fontcuberta Griñó and Prof. Albert Fert
Magnetorresistencia en sistemas nanoestructurados de manganitas
Ministerio de Ciencia y Tecnología, Acción Integrada, HF02-120, 2003-2004, Prof. Benjamín Martínez
Perea and Dr. Anne Marie Haghiri-Gosnet
Predicción simultánea de propiedades de equilibrio e interfaciales de compuestos puros y mezclas
mediante técnicas de modelado molecular
Ministerio de Ciencia y Tecnología, Acción Integrada, HP02-89, 2003-2004, Dr. Mª Lourdes Vega
Fernández
Nuevos materiales magnéticos: Estructura y magnetismo
Ministerio de Ciencia y Tecnología, Acción Integrada, HU2002-0046, 2003-2004, Prof. Jaume
Veciana Miró
Correlation between structural and optical properties in highly ordered molecular films
Ministerio de Ciencia y Tecnología, Acción Integrada, HA2003-0162, 2004-2006, Dr. Isabel Alonso
Carmona, Coordinator: Dr. Carmen Ocal
Estudios teóricos de difusión de defectos e impurezas en semiconductores
Ministerio de Ciencia y Tecnología, Acción integrada, HI2003-0337, 2004-2005, Dr. Eduardo R.
Hernández and Dr. Luciano Colombo
Highly porous catalyst by sol-gel routes
Ministerio de Ciencia y Tecnología, Acción Integrada, HU2003-0041, 2004-2006, Dr. Anna Roig
Serra and Dr. Ulrich Schubert
Construction of novel compound system bearing extended hypervalent bonds with applications to
nano-materials
Ministerio de Ciencia y Tecnología, Acción Integrada, 2004JP0102, 2004-2005, Prof. Francesc
Teixidor Bombardó
New conducting organic polymer materials incorporating bulky and hydrophobic anions borane
based
Ministerio de Educación y Ciencia, SAB2003-0121, 2004-2005, Prof. Francesc Teixidor Bombardó
Boron cluster cations for materials and catalysis
Ministerio de Educación y Ciencia, SAB2003-0122, 2004-2005, Dr. Clara Viñas Teixidor
Polimer electrolytes with weakly coordinating anions for fuel cells assemblies
Ministerio de Educación y Ciencia, SAB2004-0163, 2005-2006, Prof. Francesc Teixidor Bombardó
Platinum particles layered with polypyrrole films for fuel cells electrodes
Ministerio de Educación y Ciencia, SAB2004-0183, 2005-2006, Dr. Clara Viñas Teixidor
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197
Obtención de un stack SOFC pluricelular de soporte metálico
Ministerio de Educación y Ciencia PROFIT, FIT- 120000 2005-36, 2005-2007, Dr. Salvador Piñol
Vidal
Curso de comunicación científica para científicos
Ministerio de Educación y Ciencia, CCT001-04-00095, 2005, Mrs. Susana Garelik Rojsen
Certamen de fotografía científica
Ministerio de Educación y Ciencia, CCT004-05-00479, 2005, Mrs. Susana Garelik Rojsen
Complemento SOLSULET, Novel sol-gel technology for long length superconducting coated conductors
Ministerio de Ciencia y Tecnología, G5RD-CT-2001-00550, 2001-2005, Prof. Xavier Obradors
Berenguer
European commission
funded projects
Boron based olefine polymerization catalysts
COST D17, D17/ 0006/ 00, 2000-2004, Prof. Francesc Teixidor Bombardó
Structural characterisation of porous, interfacial and layered materials
Marie Curie Host Fellowship, HPMT-CT-2000-00006, 2001-2004, Dr. Amparo Fuertes Miquel
Flash lamp supported deposition of 3C-SiC (FLASIC)
GROWTH, GRD1-2001-40466, 2002-2005, Dr. Narcís Mestres Andreu, Coordinator: Philippe
Godignon
Novel sol gel technology for long length superconducting tapes (SOLSULET)
GROWTH, G5RD-CT-2001-00550, 2001-2004, Prof. Xavier Obradors Berenguer
Non-linear magneto-optic properties of organics and metal-organics: Molecule-based switches
COST D14, D40004/01, 2001-2004, Prof. Jaume Veciana Miró
Stereochemical effects on self-assembly and switching at the nanometer scale
COST D19, D19/004/01, 2002-2005, Dr. David Brian Amabilino
Nanotechnology and magnetic qubits to implement quantum computation (NANOMAGIQC)
STREP, IST-2001-33186, 2002-2005, Prof. Jaume Veciana Miró and Dr. Daniel Ruiz-Molina, Coordinator:
Javier Tejada
European network for power applications of superconductivity (SCENET-2)
GROWTH, G5RT-CT-2002-05077, 2004, Prof. Xavier Obradors Berenguer and Dr. Teresa Puig Molina
Advanced lithium energy storage system based on the use of nano-powders and nano-composite
electrodes/electrolytes (ALISTORE)
NoE, EC SES6-CT-2003-503532, 2004-2008, Dr. M. Rosa Palacín Peiró, Coordinator: Prof. JeanMarie Tarascon
Quantum Effects in MOLecular NAnomagnets (QuEMolNa)
Marie Curie Research Training Network, MRTN-CT-2003-504880, 2004-2008, Prof. Jaume Veciana Miró
EUROpean research program for the PARTitioning of minor actinides from high active wastes issuing
the reprocessing of spent nuclear fuels
I.P., F16W-CT-2003-508854, 2004-2006, Prof. Francesc Teixidor Bombardó
Superconductivity for life (SUPERLIFE)
Specific Support Action, SAS6-CT-2003-509058, 2004-2005, Prof. Xavier Obradors Berenguer
198
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Functionalised advanced materials engineering of hybrids and ceramics (FAME)
NoE, NMP3-CT-2004-500159, 2004-2008, Prof. Carles Miravitlles Torras, Coordinator: Dr. Jean
Etourneau
CHiral EXpression and Transfer At the Nanoscale (CHEXTAN)
Marie Curie Research Training Network, MRTN-CT-2004-512161, 2005-2008, Dr. David Brian
Amabilino
Nanoscale integrated processing of self-organizing multifunctional organic materials (NAIMO)
I.P., NMP4-CT-2004-500355, 2004-2008, Prof. Jaume Veciana Miró
Superconducting coated conductor cable (SUPER 3C)
STREP, SES6-CT-2004-502615, 2004-2007, Prof. Xavier Obradors Berenguer
Computacional challenges in molecular simulations: Meeting the experimental performance (MOLSIMU)
European Science Foundation, 2004-2008, Dr. Mª Lourdes Vega Fernández, Coordinators: Dr.
Giovanni Ciccotti, Dr. Daan Frenkel and Dr. Michel Mareschal
Molecular approach to nanomagnets and multifunctional materials (MAGMANet)
NoE, NMP3-CT-2005-515767-2, 2005-2008, Prof. Jaume Veciana Miró
Sustainable surface technology for multifunctional materials (SURFACET)
STREP, NMP2-CT-2005-013524, 2005-2008, Dr. Concepción Domingo Pascual
High performance nanostructured coated conductors by chemical processing (HIPERCHEM)
STREP, NMP3-CT-2005-516858, 2005-2008, Prof. Xavier Obradors Berenguer
Synthesis beyond the redox-active tetrathiafulvalene (TTF) molecule: From a topological control in
TTF-based macrocycles, towards functional chemical systems
COST D31, WG D19/0014/05, 2005-2009, Dr. David Brian Amabilino
Other international
projects
Tensiometría interfacial en mezclas fluidas
Fondecyt, Chile, 7050031, 2005-2006, Dr. Mª Lourdes Vega Fernández, Chile: Dr. Andrés Mejía
Matallana
Co-Planar nanoelectrodes to correlate structure with electron transport in organic molecules
“Molecular Foundry” at the Berkeley National Laboratory, Univ. of California (USA), 2005-2006,
Prof. Jaume Veciana Miró
Development o fan anti-hofmeister anion selective electrode base don polypyrrole conducting polymer
OTAN, OTSF03-009, 2004, Prof. Francesc Teixidor Bombardó
Autonomous government
funded projects
Grup de recerca consolidat. Laboratori de materials superconductors
Generalitat de Catalunya, 2001-SGR-00189, 2001-2004, Prof. Xavier Obradors Berenguer
Grup de recerca consolidat. Grup de cristal·lografia i difracció de raigs X
Generalitat de Catalunya, 2001-SGR-00335, 2001-2004, Prof. Elies Molins Grau
Grup de recerca consolidat. Laboratori de materials inorgànics i catàlisi
Generalitat de Catalunya, 2001-SGR-00337, 2001-2004, Prof. Francesc Teixidor Bombardó
Grup de recerca consolidat. Laboratori de química d’estat sòlid
Generalitat de Catalunya, 2001-SGR-00361, 2001-2004, Dr. Amparo Fuertes Miquel
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199
Grup de recerca consolidat. Laboratori de materials orgànics
Generalitat de Catalunya, 2001-SGR-00362, 2001-2004, Prof. Jaume Veciana Miró
Grup de recerca consolidat. Grup de materials superconductors i nanoestructuració a gran escala
Generalitat de Catalunya, 2005-SGR-00029, 2005-2008, Prof. Xavier Obradors Berenguer
Grup de recerca consolidat. Simulació molecuar
Generalitat de Catalunya, 2005-SGR-00288, 2005-2008, Dr. Mª Lourdes Vega Fernández
Grup de recerca consolidat. Laboratori de cristal lografia i difracció de raigs-X
Generalitat de Catalunya, 2005-SGR-00452, 2005-2008, Prof. Jordi Rius Palleiro
Grup de recerca consolidat. Materials magnètics nanoestructurats i llurs aplicacions
Generalitat de Catalunya, 2005-SGR-00509, 2005-2008, Prof. Josep Fontcuberta Griñó
Grup de recerca consolidat. Materials orgànics i nanociència molecular
Generalitat de Catalunya, 2005-SGR-00591, 2005-2008, Prof. Jaume Veciana Miró
Grup de recerca consolidat. Laboratori d'estructura electrònica de materials
Generalitat de Catalunya, 2005-SGR-00683, 2005-2008, Prof. Enric Canadell Casanova
Grup de recerca consolidat. Laboratori de materials inorgànics i catàlisi
Generalitat de Catalunya, 2005-SGR-00709, 2005-2008, Prof. Francesc Teixidor Bombardó
Grup de recerca consolidat. Grup de preparació de pel.lícules primes nanoestructurades de materials
orgànics i inorgànics. Caracterització a escala nanomètrica de les seves propietats electròniques,
magnètiques, vibracionals amb tècniques SPM
Generalitat de Catalunya, 2005-SGR-00909, 2005-2008, Prof. Albert Figueras Dagà
Grup de recerca consolidat. Laboratori de química d’estat sòlid
Generalitat de Catalunya, 2005-SGR-00912, 2005-2008, Dr. Amparo Fuertes Miquel
Síntesi i propietats físiques de nanoimans unimoleculars obtinguts mitjançant nous mètodes
sintètics
Generalitat de Catalunya, XI2002-9, 2003-2004, Dr. Daniel Ruiz-Molina
Centre de Referència en Materials Avançats per a l’Energia (CeRMAE)
Generalitat de Catalunya, 2003-2005, Prof. Xavier Obradors Berenguer, Coordinator: Prof. Joan
Ramón Morante
Centre de Referència en Materials Avançats per a l’Energia (CeRMAE)
Generalitat de Catalunys, 2003-2005, Prof. Concepció Rovira Angulo, Coordinator: Prof. Joan Ramón
Morante
Chitin-chitosan particle design
CIDEM-Generalitat de Catalunya, 2003-2004, Prof. Jaume Veciana Miró, Dr. Nora Ventosa Rull and
Dr. Yacine Boughmar
Memorias magnéticas basadas en el efecto túnel de espines polarizados
Generalitat de Catalunya, Xarxa Temática Interregional, PCI2002, 2003-2004, Prof. Benjamín
Martínez Perea
Sintesi de nous dendrimers que incorporen clùsters de carborà
Generalitat de Catalunya, 2004CRED00030, 2005-2006, Dr. Rosario Núñez Aguilera
200
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Viability of sub-stoichiometric titanium oxide as material used for photodegradation of organic
molecules in water under solar radiation
Generalitat de Cataluña, OTT-2005-X-1070, 2005-2008, Prof. Albert Figueras Dagà
Óxidos magnéticos con propiedades electrónicas no convencionales
Generalitat de Catalunya, Programa Internacional de Cooperació Científica, PICS2003-15, 2004,
Óxidos magnéticos con propiedades electrónicas no convencionales
Generalitat de Catalunya, Programa Internacional de Cooperació Científica, PICS2005-14, 2005,
Xarxa temàtica de piles de combustible de la Generalitat de Catalunya
Generalitat de Catalunya, 2003-2005, Dr. Pedro Gómez-Romero
Hormigones de bajo pH procesados con CO 2 supercrítico. Interacción con bentonita en
almacenamientos de residuos radiactivos de alta actividad
Comunidad de Madrid, GR/AMB/0451/2004, 2005, Dr. Concepción Domingo Pascual, Coordinator:
Dr. Carmen Andrade
Industrial contracts
Materials sorprenents
Cosmocaixa, Museo de la Ciencia, 2005, Dr. Pedro Gómez-Romero
Confidentiallity calalysis testing agreement
ExxonMobil, 2004-2006, Dr. Mónica Lira-Cantú and Dr. Dave Calabro
Desarrollo de un stack SOFC tubular de soporte metálico
Ikerlan, 2005-2006, Dr. Salvador Piñol Vidal
Estudio del comportamiento cristalino del albaconazol
J. Uriach, S.A., 2003-2004, Prof. Elies Molins Grau
Theoretical modeling of structure and electronic conductivity of amorphous transparent conducting
oxides
MATGAS A.I.E., 2003-2004, Dr. Eduardo R. Hernández
Aerogeles para catálisis
MATGAS A.I.E., 2003-2004, Prof. Elies Molins Grau
Understanding supercritical CO2 surfactancy through molecular simulations and theory
MATGAS A.I.E., 2003-2004, Dr. Mª Lourdes Vega Fernández
DELOS processing of polymeric materials
MATGAS A.I.E., 2003-2004, Prof. Jaume Veciana Miró and Dr. Nora Ventosa Rull
Molecular-beam-epitaxy of silicon-based nanostructures
MATGAS A.I.E., 2003-2005, Dr. Maria Isabel Alonso Carmona
Materials design and process for improved copper adhesion on diffusion barrier layers via atomic
layer deposition
MATGAS A.I.E., 2004, Prof. Pablo Ordejón Rontomé
Materials design and process for improved copper adhesion on diffusion barrier layers via atomic
layer deposition
MATGAS A.I.E., 2004-2005, Prof. Pablo Ordejón Rontomé
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201
Stability of nanoparticle dispersions by molecular simulation
MATGAS A.I.E., 2004-2005, Dr. Daniel Duque Campayo and Dr. Mª Lourdes Vega Fernández
Materials design and process for improved cooper adhesion on difusion barrier layers via atomic
layer deposition
MATGAS A.I.E., 2005-2006, Prof. Pablo Ordejón Rontomé
Posibilities with new APCI electrolyte
MATGAS A.I.E., 2005-2006, Dr. M. Rosa Palacín Peiró
Improving pollution prevention from molecular modelling approaches
MATGAS A.I.E., 2005-2006, Dr. Mª Lourdes Vega Fernández and Dr. Daniel Duque Campayo
Stability of nanoparticle dispersions by molecular simulation (renewal)
MATGAS A.I.E., 2005-2006, Dr. Daniel Duque Campayo and Dr. Mª Lourdes Vega Fernández
DELOS-SUSP and DELOS-PLUS materials processing techniques
MATGAS A.I.E., 2005-2006, Prof. Jaume Veciana Miró
Co-cristalization using precipitation procedures with compressed fluids
MATGAS A.I.E., 2005-2006, Dr. Nora Ventosa Rull
Further development on DELOS-SUSP and DELOS-PLUS materials processing techniques
MATGAS A.I.E., 2005-2006, Prof. Jaume Veciana Miró
Polimorfismo en fármacos
Medichem, S.A., 2004-2006, Prof. Elies Molins Grau
Optimization and scaling up of the artificial welding of YBCO/Ag/YBCO structures and Preparation
and characterization of welded elements with variable misorientation angles
Nexans Superconductors, 2005, Prof. Xavier Obradors Berenguer
Nuevas funcionalidades en óxidos de zinc y otros semiconductores
Quality Chemicals, 2005-2006, Prof. Josep Fontcuberta Griñó
Developement of new calculation techniques for electronic structure
Sumitomo Chemical, 2003-2004, Prof. Pablo Ordejón Rontomé
Critical formulation of innovative drug delivery systems combining nanotechnology and adsorption
modifiers
Uniqema – ICI, 2003-2004, Prof. Jaume Veciana Miró and Dr. Nora Ventosa Rull
Feasibility study on a disposable solar dosimeter
Vives Vidal Vivesa, 2005, Dr. Mónica Lira-Cantú and Dr. Fredrik C. Krebs
202
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Meetings and conferences contributions, 2004
th
5 Warren Symposium at the Ringberg Castle,
Ringberg Castle, Germany, January 2004
Growth and structure of organic bilayers (oral)
J.O. Ossó
Tercera Trobada de Joves Investigadors dels Països Catalans,
Tarragona, Spain, January 2004
Organització i propietats electròniques de derivats de tetratiafulvalè en una interfase sòlid - líquid
(oral)
E. Gomar, M.M.S. Abdel-Mottaleb, S. De Feyter, C. Rovira, D.B. Amabilino and F.C. De Schryver
Nous complexes de transició metall Bis-1,2-diselenolene (M = Cu, Ni, Pt) amb estructura 3D
formada a través de coordinació amb cations alkalins (oral)
X. Ribas, J. Dias, J. Morgado, K. Wurst, E. Molins, E. Ruiz, T. Parella, M. Almeida, J. Veciana and
C. Rovira
Computational Crystallography Workshop 2004 (AK14),
Aachen, Germany, February 2004
Quantitative vs. qualitative approaches in solid state chemistry (invited talk)
E. Canadell
Workshop on Molecular Materials,
Sacavém, Portugal, February 2004
TTF based compounds for crystalline and surface materials (invited talk)
C. Rovira
Interplay of Magnetism and Structure in Functional Materials,
Benasque, Spain, February 2004
Charge and Zener polaron order in manganese perovskites: The special case of bismuth based
manganites (invited talk)
C. Frontera, J.L. García-Muñoz, M.A.G. Aranda, Ll. Mañosa, X.G. Capdevila, A. Calleja, A. Llobet, M.
Hervieu and C. Ritter
Curso 3er Ciclo. Universidad de Sevilla,
Sevilla, Spain, February 2004
Tecnologías limpias supercríticas en la preparación de biomateriales (oral)
C. Domingo
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MEETINGS AND CONFERENCES CONTRIBUTIONS, 2004
203
rd
III French-Spanish Meeting on Solid State Chemistry and Physics,
Montpellier, France, March 2004
Li7MnN4 vs Li7.9MnN3.2O1.6 as electrode materials for lithium batteries: A comparison study (oral)
J. Cabana, G. Rousse, N. Dupré, C.P. Grey and M.R. Palacín
Study and optimisation of industrial positive active materials for rechargeable nickel batteries
(oral)
M. Casas-Cabanas, J.C. Hernández, M.L. Soria, J. Rodriguez-Carvajal and M.R. Palacín
Optimal design and characterization of adsorbent and catalytic materials from molecular simulations
and experiments (oral)
C. Herdes, M.A. Santos, D. Duque, F. Medina and L.F. Vega
Réunion du Groupe Français d’Étude des Composés d’Insertion (GFECI 2004),
Lacanau, France, March 2004
Etude RMN MAS des environnements locaux du lithium de Li7MnN4 et Li7.9MnN3.2O1.6, materiaux
pour electrode negative (oral)
J. Cabana, N. Dupré, C.P. Grey and M.R. Palacín
Frühjahrstagung der Deutsche Physikalische Gesellschaft,
Regensburg, Germany, March 2004
Growth and structure of phthalocyanine thin films on SiO2 and octadecyltriethoxisilanes (oral)
D.G. de Oteyza, E. Barrena, J.O. Ossó and H. Dosch
GDR Sesame/Relax Meeting,
Paris, France, March 2004
Spin transport in Ferrite/Manganite heterostructures (oral)
U. Lüders, M. Bibes, A. Barthélémy, K. Bouzehouane, E. Jacquet, J.-P. Contour, S. Fusil, J.F. Bobo,
J. Fontcuberta and A. Fert
Annual APS March Meeting 2004,
Montreal, Canada, March 2004
Adsorption of C60 on Ge(111) - the sqrt(13) ⫻ sqrt(13) structure (oral)
T.-L. Leei, J. Zegenhagen, X. Torrelles, J. Rius, O. Bikondoa, P. Ordejón and E. Machado
Ab-initio simulation of self-defects diffusion mechanisms in silicon and gallium arsenide (oral)
F. el Mellouhi, N. Mousseau and P. Ordejón
Stability of ScGaN alloys: A SIESTA study (oral)
N. Sandler, P. Ordejón, C. Constantin, H. Al-Brithen, M. Haider, D. Ingram and A. Smith
Inherent magnetic granularity of epitaxial superconductivity coated conductors (oral)
A. Palau, T. Puig, X. Obradors, R. Feenstra and H.C. Freyhardt
204
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Workshop on Functional Molecular Materials, COST D14,
Budapest, Hungary, March 2004
Non-linear magneto-optic properties of organic and metal-organic compounds: Potential molecule-based
switches (invited talk)
J. Veciana
European Workshop on Magnetic Influence on NLO Properties,
Leuven, Belgium, March 2004
Magnetic components in new multiproperty molecular arrays (invited talk)
C. Rovira
Multifunctional switching arrays based on redox behaviour of ferrocene and linked organic radicals
(oral)
C. Sporer
st
1 NanoSpain Workshop,
San Sebastian, Spain, March 2004
Multiple length scale patterning of single-molecule magnets (oral)
D. Ruiz-Molina, J. Gómez-Segura and J. Veciana
Self-assembly of components for nanometer-scale molecular electronics – tetrathiafulvalene
monolayers studied by STM (oral)
D.B. Amabilino, E. Gomar-Nadal, M.M.S. Abdel-Mottaleb, S. De Feyter, F.C. De Schryver, C. Rovira
and J. Veciana
International Symposium Photonics Europe (SPIE’s),
Strasbourg, France, April 2004
Highly stable solid-state dye lasers based on polymer-filled nanoporous silica aerogels (oral)
A. Costela, J. García-Moreno, C. Gómez, O. García, R. Sastre, E. Molins and A. Roig
Colloque Louis Néel,
Autrans, France, April 2004
Spin transport in ferrite/manganite heterostructures (oral)
Materials Research Society Spring Meeting,
San Francisco, U.S.A. April 2004
4H-SiC MIS structures using oxidized Ta2Si as high-k dielectric (oral)
A. Pérez-Tomás, P. Godignon, N. Mestres, D. Tournier, J. Montserrat and J. Millán
SiC power diodes improved by fine surface polishing (oral)
P. Godignon, R. Pérez, D. Tournier, N. Mestres, H. Mank and D. Turover
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205
Workshop on Low-dimensional Materials: Present and Future Perspectives,
Madrid, Spain, April 2004
Low-dimensional nanoporous molecular magnetic materials (invited talk)
J. Veciana
European Materials Research Society Spring Meeting (E-MRS 2004),
Strasbourg, France, May 2004
Single-crystalorganic field-effect transistors based on tetrathiafulvalene derivatives (TTF) (invited talk)
M. Mas-Torrent
High temperature conductivity in strained epitaxial Sr4Fe6O13 thin films (oral)
J. Santiso, J.A. Pardo, C. Solis, G. Garcia, A. Figueras, M.D. Rossell and G. Van Tendeloo
th
24 International Conference on Microelectronics (MIEL’04),
Nis, Serbia and Montenegro, May 2004
Direct measurement of self-heating defects at the drift region of 600V PT-IGBTs (oral)
X. Perpiñà, X. Jordà, P. Godignon, J. Millán, H. von Kiedrowski, J. Vobecký and N. Mestres
International Symposium on Molecular Materials and Organometallics,
Rennes, France, May 2004
Molecular bistability based on redox-tunable valence tautomeric complexes (oral)
D. Ruiz-Molina, C. Sporer, I. Ratera, K. Wurst, C. Rovira and J. Veciana
II Russian Conference,
Novogivirsk, Russia, May 2004
High-spin molecules and magnets novorsibirsk (invited talk)
J. Veciana
Nanotechnology in European Regions,
Bellaterra, Spain, May 2004
Nanotechnology at ICMAB-CSIC (invited talk)
X. Obradors
VIII Jornades de la Curie,
Alcant, Spain, May 2004
Superconductivitat i superfluïdesa. Un premi per a la comprensió d’efectes quantàntic ben visibles
(invited talk)
J. Fontcuberta
High-Temperature Superconductors and Novel Inorganic Materials Engineering (MSU-HTSC VII),
Moscow, Russia, June 2004
Chemical approaches to high critical current superconductors (invited talk)
X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, S. Piñol and N. Mestres
206
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Sixth European Solid Oxide Fuel Cell Forum,
Lucerne, Switzerland, June 2004
New method to prepare electrolytes for SOFC (oral)
M. Segarra, X.G. Capdevila, J. Folch and S. Piñol
th
7 Internacional Conference on Nanostructured Materials,
Wiesbaden, Germany, June 2004
TTF derivatives as components of transparent metallic flexible films and field effect transistors
(invited talk)
C. Rovira
Norma Stoddart Memorial Symposium,
Los Angeles, U.S.A., June 2004
Chiral molecular materials with magnetic and electrical properties (invited talk)
D.B. Amabilino
NanoChemistry Workshop 2004, COST D19,
Darmstadt, Germany, June 2004
Low-dimensional nanoporous molecular magnetic materials: A molecular sponge-like magnet (invited
talk)
J. Veciana
Chiral Poly(isocyanide)s and their electrochemical switching (oral)
D.B. Amabilino, E. Gomar-Nadal, L. Mugica, R.J.M. Nolte, C. Rovira, A.E. Rowan and D. Vriezema
III Reunión Nacional de Física de Estado Sólido,
San Sebastian, Spain, June 2004
Ferromagnetism in Co-doped ZnO particles prepared by vaporization-condensation in a solar reactor
(invited talk)
B. Martínez
Separación de fases y localización electrónica en óxidos: Complementariedad de la difracción
sincrotrón y de neutrones (invited talk)
J.L. García-Muñoz
Corriente percolativa y anclaje de vórtices en cintas supercondcutoras de YBa2Cu3O7 (invited talk)
A. Palau, T. Puig and X. Obradors
Single-molecule magnets on a surface (invited talk)
D. Ruiz-Molina
Multiple length scale patterning of single-molecule magnets (oral)
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207
VIII Congreso Nacional de Materiales,
Valencia, Spain, June 2004
Self-assembling silane monolayer obtained by a supercritical CO anhydrous method (oral)
C. Domingo, J. Fraile and E. Loste
2
14th European Symposium on Fluorine Chemistry,
Poznan, Poland, July 2004
Gas/perfluoroalkane and alkane/perfluoroalkane mixtures modelled by the soft-SAFT EoS (oral)
IX Simposio Latinoamericano de Polímeros. VII Congreso Iberoamericano de Polímeros
(SLAP2004),
Valencia, Spain, July 2004
Tecnología de CO -supercrítico aplicada a la preparación de sistemas de liberación controlada
basados en microesferas de PMMA/Poli(ε -caprolactona) (oral)
C. Elvira, M. Fernández, A. Fanovich, J. Fraile, C. Domingo and J. San Román
2
VIII European Conference on Surface Crystallogrpahy and Dynamics (ECSCD-8),
Segovia, Spain, July 2004
New insights in the c(4x2) reconstruction of hexadecanethiol on au(111) revealed by gixrd (oral)
X. Torrelles
Jornades Franco-Catalanes de Nanociències i Nanotecnologia,
Barcelona, Spain, July 2004
Functional molecular nano-objects (invited talk)
J. Veciana
Research in nanomaterials in Catalonia (oral)
J. Fraxedas
XX International Union of Pure and Applied Chemistry Symposium on Photochemistry (XX
IUPAC)
Granada, Spain, July 2004
Polymer-filled nanoporous aerogels as highly stable hosts for organic laser dyes (oral)
A. Costela, J. García-Moreno, C. Gómez, O. García, R. Sastres, E. Molins and A. Roig
Spectrocopies in Novel Superconductors (SNS 2004),
Sitges, Spain, July 2004
Anisotroscopic irreversibility line and loss of vortex correlation in the liquid state of YBa2Cu3O7
(invited talk)
X. Obradors, J. Figueres, T. Puig, G. Deutscher, W.K. Knok and G.W. Crabtree
208
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Effects of Surface Heterogeneity in Adsorption and Catalysis on Solids (ISSHAC-5),
Gdansk, Poland, August 2004
Search for a reliable methodology for psd analysis based on a combined molecular simulationexperimental approach. The case of hexagonal mesoporous silicas (oral)
New insights into the adsorption isotherm interpretation by a coupled molecular simulationexperimental procedure (oral)
M.J. Sánchez-Montero, F. Salvador, C. Herdes and L.F. Vega
The 11th International Conference on High Pressure Semiconductor Physics (HPSP-11),
Berkeley, U.S.A., August 2004
Recombination dynamics in self-assembled InP/GaP quantum dots under high hydrostatic
pressure (oral)
A.R. Goñi
Ninth International Conference on Ferrites (ICF-9),
San Francisco, U.S.A., August 2004
Combining perovskites and spinel oxides for spintronics (oral)
M. Bibes, U. Lüders, M. Gajeck, A. Barthélémy, K. Bouzehouane, J.-L. Maurice, J.F. Bobo, J. Fontcuberta
and A. Fert
Conference Metal Compounds in the Treatment of Cancer and Viral Diseases, COST D20,
Garmich-Partenkirchen, Germany, September 2004
Ruthenium complexes with purine nucleobases (invited talk)
A. García-Raso, J.J. Fiol, A. Tasada, M.J. Prieto, V. Moreno, I. Mata, E. Molins, T. Bunic, A. Golobic
and I. Turel
Joint European Magnetic Symposia (JEMS’04),
Dresden, Germany, September 2004
Ferromagnetic interactions in double perovskites (invited talk)
J. Fontcuberta
Ferromagnetism in Co-doped ZnO particles prepared by vaporization-condensation y solar image
furnace (oral)
Investigating the impact of the microstructure on the magnetotransport properties of ultrathin
SrRuO3 films (oral)
G. Herranz, F. Sánchez, B. Martínez, J. Fontcuberta, M.V. García-Cuenca, C. Ferrater and M. Varela
Spin transport in Ferrite/Manganite heterostructures (oral)
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209
European Powder Diffraction Conference (EPDIC IX),
Prague, Czech Republic, September 2004
The blue mineral pigment aerinite studied at high temperature with laboratory powder diffraction
data (oral)
J. Rius
Solid-State Ionics - Transport Properties,
Patras, Greece, September 2004
Hybrid electroionic materials. From electrodes to electrolytes for energy storage and conversion
applications (invited talk)
P. Gómez-Romero
Journées de la Matière Condensée,
Nancy, France, September 2004
Dissimilar magnetic properties in strained La Ca MnO epitaxial films on SrTiO3(001) and SrTiO3(110)
(oral)
I.C. Infante, F. Sánchez and J. Fontcuberta
2/3
1/3
3
The 3rd European Meeting on Boron Chemistry (EUROBORON 3),
Synthetic and structural studies of carboranyl thioethers and disulfides (oral)
A. Laromaine, C. Viñas, F. Teixidor, R. Sillanpää and R. Kivekäs
Syntheses of new sulfide and mercaptan ruthenacarborane complexes (oral)
J. Giner, C. Viñas, F. Teixidor, M. Hursthouse and M.E. Light
Carbosilane dendrimers containing carborane clusters: A new approach to multifunctional nanosystems
(oral)
A. González, R. Núñez, C. Viñas, F. Teixidor, R. Sillampää and R. Kivekäs
Synthetic pathway to per-B-iodinated and per-B-methylated ortho-carboranes (oral)
A. Vaca, G. Barberà, C. Viñas, F. Teixidor, R. Sillanpää, R. Kivekäs and J.M. Oliva
European Materials Research Society Fall Meeting (E-MRS 2004,)
Warsaw, Poland, September 2004
Using local orbitals to compute the properties of materials (invited talk)
P. Ordejón
th
5 European Conference on Silicon Carbide and Related Materials (ECSCRM 2004),
Bolonia, Italy, September 2004
+
Epitaxial SiC formation at the SiO /Si interface by C implantation into SiO and subsequent annealing
(oral)
M. Voelskow, D. Panknin, E.K. Polycroniadys, G. Ferro, P. Godignon, N. Mestres, W. Skorupa, Y.
Monteil and J. Stoemenos
2
2
210
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Working Group Meeting, COST D14,
Angers, France, September 2004
Organic and metal-organic magnetic nanoporous materials (invited talk)
J. Veciana
Novel transition metal Bis-1,2-diselenolene complexes (M = Cu, Ni, Pt) with a highly extended 3D
framework through alkaline cation coordination (invited talk)
C. Rovira
Conference on New Concepts and Materials for Molecular Electronics and Nanotechnology
(CMME’2004),
Puszczykowo, Poland, September 2004
Low-dimensional nanoporous molecular magnetic materials. A Molecular sponge-like magnet (invited
talk)
J. Veciana
Annual Conference of European and Japanese Molecular Liquids Group (EMLG–JMLG),
Sheffield, U.K., September 2004
Microscopic understanding of “CO2-expanded solutions”: A relevant knowledge for the production
of nano- and micron-sized powders through the DELOS process (oral)
N. Ventosa, S. Sala, J. Veciana, M. Besnard, Y. Danten and T. Tassaing
th
10 International Workshop on Thermal Investigations of ICs and Systems (THERMINIC 04),
Sophia Antipolis, France, September 2004
A calibration procedure for an IIR-LD equipment using a thermal test chip and an analitical model (oral)
X. Perpiñà, X. Jordà, F. Madrid, S. Hidalgo, D. Flores, M. Vellvehi and N. Mestres
th
th
11 Spanish Meeting on Inorganic Chemistry. 5 Spanish Meeting on Solid State Chemistry.
sh
1 Spanish-German Coloquium on Inorganic Chemistry (QIES ’04),
Santiago de Compostela, Spain, September 2004
Alkali-metal intercalates of hafnium nitride halide (oral)
A. Fuertes and J. Oró-Solé
EuroConference on New Theoretical and Spectroscopical Approaches to Inorganic Chemistry
Problems, EURESCO Conferences 2004,
Sant Feliu de Guixols, Spain, September 2004
DFT calculations with local basis sets for solids (invited talk)
E. Canadell
Jornades Franco-Catalanes de Química Molecular,
Bellaterra, Spain, September 2004
Mesures XPS/ESCA en materials moleculars orgànics (oral)
J. Fraxedas
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211
IV Congreso Español de Microscopía de Fuerzas y de Efecto Túnel, Fuerzas y Túnel 2004,
Vic, Spain, September 2004
Adsorption of c60 molecules on ge(111) surface. A root(13)xroot(13)r14 (oral)
X. Torrelles
Nanopatterning of single-molecule magnets on a surface (oral)
XV Symposium del Grupo Especializado de Cristalografía,
Tenerife, Spain, September 2004
Potassium dawsonite structures in calcium aluminate cement solved from X-ray diffraction and
refined with the Rietveld method (oral)
L. Fernández-Carrasco and J. Rius
3º Workshop Red de Pilas de Combustible CSIC - Universidad 2004,
Salamanca, Spain, September 2004
Capas delgadas epitaxiales con aplicación en SOFCs (oral)
J.A. Pardo, J. Santiso, C. Solís, G. Garcia and A. Figueras
Síntesis y caracterización de electrolitos de base ceria preparados por el método del acetilacetonato
(oral)
S. Piñol
IV Escuela de Resonancia Paramagnética Electrónica,
Alicante, Spain, September 2004
Espectroscopia de resonancia paramagnética electrónica aplicada al estudio de radicales libres
orgánicos (invited talk)
J. Vidal-Gancedo and J. Veciana
Aspectos experimentales de la resonancia paramagnética electrónica (invited talk)
J. Vidal-Gancedo
Técnicas de spin trapping y spin label (invited talk)
J. Vidal-Gancedo
International Workshop on Plasma Polymers & Related Materials,
Antalya, Turkey, October 2004
Preparation and characterization of thin molecular organic films (invited talk)
J. Fraxedas
Workshop on Surface and Interface Science at ESRF,
Grenoble, France, October 2004
Adsorption of fullerene on ge(111)-inlaying of C60 molecules into a root(13)xroot(13) structure (oral)
X. Torrelles
212
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th
11 International Workshop on Oxide Electronics,
Kanagawa, Japan, October 2004
New strategies to design spin-polarized electrons sources with oxide layers (oral)
M. Bibes, A. Barthélémy, M. Gajek, U. Luders, R. Ranchal, K. Bouzehouane, E. Jacquet, M. Varela,
J.-F. Bobo, J. Fontcuberta, J.-P. Contour and A. Fert
II Halogen Chemistry International Meeting (HALCHEM II),
Cerdeña, Italy, October 2004
Synthetic and structural studies of carboranyl derivatives containing S, Se and P (oral)
C. Viñas, A. Laromaine, F. Teixidor, R. Sillanpää and R. Kivekäs
Relevance of the electronegativity of boron in η 5 coordinating ligands. Regioselective monoalkylation
and monoarylation in cobaltabisdicarbollide [3,3’-co(1,2-c2b9h11)2]- clusters (oral)
F. Teixidor, C. Viñas, I. Rojo, R. Kivekäs and R. Sillanpää
Workshop “Convergences Bio-Nano-Info technologies” de la Academia des Technologies de
Francia y la Real Academia de Ingeniería de España,
Toulouse, France, October 2004
Simulaciones en el nanomundo: Del ADN a los nanotubos (invited talk)
P. Ordejón
2004 International Semiconductor Conference (CAS 2004),
Sinaia, Romania, October 2004
Gate oxides on 4H-SiC substrates grown or annealed in N2O/Ar mixture (oral)
A. Pérez-Tomás, P. Godignon, D. Tournier, N. Mestres and J. Millán
ENSA/ISMS/NMI3 Joint Meeting,
Villigen, Switzerland, October 2004
The Spanish community of muon users (invited talk)
J.L. García-Muñoz
Applied Supercondcutivity Conferene (ASC’04),
Jacksonville, U.S.A., October 2004
High Jc TFA-YBCO thin films aon multilayers grown by chemical solution deposition (oral)
A. Pomar, M. Coll, A. Cavallaro, J. Gazquez, J. Gutiérrez, A. Palau, O. Castaño, F. Sandiumenge, T.
Puig and X. Obradors
Thickness dependent current transport properties in YBCO coated conductors (oral)
R. Feenstra, A.A. Gopud, D.K. Christen, T. Ayting, E.D. Specht, D.M. Feldmann, D.C. Larbalestrer,
T.G. Holesinger, A. Palau, T. Puig and X. Obradors
Recent progress in thickness related studies to enhance Ic in ex situ YBCO coated conductors
(oral)
R. Feenstra, A.A. Gapud, C. Cantón, D.K. Christen, E.D. Specht, D.M. Feldmann and D.C. Tarbelestier
21/2/08
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213
Grain and grain boudary inductive critical current desity of YBCO coated conductors (oral)
A. Palau, T. Puig, X. Obradors, R. Feenstra and S.C. Freyhardt
CREST, JST Workshop on Perspectives on Single-Molecule Magnets and Single-Chain
Magnets,
Tsukuba, Japan, October 2004
Nanopatterning of Mn single-molecule magnets on surfaces. Towards magnetic information
storage… (invited talk)
J. Veciana
12
International Conference on Molecule-based Magnets (ICMM’2004),
Tsukuba, Japan, October 2004
Nanoporous molecular magnetic materials (invited talk)
J. Veciana
Internacional Symposium on the Industrial Applications of the Mössbauer Effect (ISIAME2004),
Madrid, Spain, October 2004
Prospects of Fe/McM-41 as a catalyst for hydrocarbon synthesis (invited talk)
M.V. Cagnoli, N.G. Gallegos, J.F. Bengoa, A.M. Alvarez, S.M.J. Moreno, A. Roig, S.G. Marchetti and
R.C. Mercader
Trends in Nanoscience and Nanotechnology,
Segovia, Spain, October 2004
Self-organization in complex oxide thin films: From 2-D to 0-D nanostructures of SrRuO3 and CoCr2O4
(oral)
J. Fontcuberta
th
49 Conference on Magnetism and Magnetic Materials (MMM 2004),
Jacksonville, U.S.A., November 2004
Structural and magnetic properties of Co-doped ZnO nanoparticles prepared by vaporization
condensation in a solar reactor (oral)
Charge trapping processes in LCMO strained epitaxial thin films (oral)
Ll. Abad, V. Laukhin, Ll. Balcells, J. Fontcuberta and B. Martínez
Magnetism in the low-doping regime (x<0.50) of Bi1-xSrxMnO3 perovskites (oral)
C. Frontera, J.L. García-Muñoz, M.A.G. Aranda, M. Hervieu, C. Ritter, A. Calleja, X.G. Capdevila and
M. Respaud
Magnetism and vacancy ordering in PrBaCo2O5+␦ (␦ⱖ0.50) (oral)
C. Frontera, J.L. García-Muñoz, A.E. Carrillo, A. Caneiro, C. Ritter, D. Martín and Marero
214
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International Workshop on Spintronics and Nanomagnetism,
Curitiba, Brasil, November 2004
Novel magnetic materials for spintronics (invited talk)
J. Fontcuberta
th
7 Asian Workshop on First-Principles Electronic Structure Calculations,
Taipei, Taiwan, November 2004
Using local orbitals to compute the properties of materials from first principles (invited talk)
P. Ordejón
International Workshop on Coated Conductors for Applications (CCA 2004),
Kanagawa, Japan, November 2004
Growth and characterization of MOD CeO2 buffer layers and TFA YBa2Cu3O7/CeO2 multilayers (invited
talk)
X. Obradors, T. Puig, F. Sandiumenge, N. Mestres and S. Ricart
Identification of the intermediate phases taking part in the YBCO-TFA growth process (invited talk)
T. Puig, J.C. González, J. Gázquez, N. Mestres, F. Sandiumenge and X. Obradors
th
10 Intenational Workshop on Chemical Designing and Processing of High-Tc Superconductors
and Related Materials (Chem-HTSC X),
Tokyo, Japan, November 2004
Chemical solution growth of epitaxial YBCO multilayers for coated conductors (invited talk)
T. Puig, X. Obradors, F. Sandiumenge, N. Mestres and S. Ricart
th
17 International Symposium on Superconductivity,
Niigata, Japan, November 2004
Preparation and microstructure of high critical current TFA-MOD YBa2Cu3O7 films on MOD oxide
buffer layers (invited talk)
X. Obradors, T. Puig, F. Sandiumenge, N. Mestres and S. Ricart
Workshop Red Optimisation of Solid State Electrochemical Processes for Hydrocarbon Oxidation
(OSSEP),
La Laguna, Spain, November 2004
Mixed ionic and electronic thin films prepared by PLD and PIMOCVD (oral)
J. Santiso, J.A. Pardo, C. Solís, G. Garcia, M. Burriel and A. Figueras
I Congreso de Químicos jóvenes RSEQ-Sigma-Aldrich,
Madrid, Spain, November 2004
Dendrímeros y materiales híbridos a base de Si y B: Sistemas macromoleculares multifuncionales
(oral)
R. Núñez, A. González, F. Teixidor, C. Viñas, B. Boury, R. Kivekäs and R. Sillanpää
21/2/08
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215
Materials Research Society Fall Meeting,
Boston, U.S.A., December 2004
Hybrid materials approach in the design of electrodes and electrolytes for energy storage and
conversion (invited talk)
P. Gomez-Romero, A.K. Cuentas-Gallegos, J.A. Asensio, N. Casañ-Pastor and M. Lira-Cantú
Anisotropic strain relaxation in epitaxial thin films of manganites (oral)
J. Fontcuberta
st
31 Symposium on Heteroatom Chemistry,
Wakayama, Japan, December 2004
Boron clusters. Should the scientific community pay more attention to them? (invited talk)
F. Teixidor
216
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Meetings and conferences contributions, 2005
The International Conference on Nanotechnology: Science and Application (NanoTech Insight’05),
Luxor, Egypt, February 2005
Chiral molecular and supramolecular materials with electronic and magnetic properties (invited
talk)
D.B. Amabilino, E. Gomar-Nadal, J. Puigmartí, D. Ruiz-Molina, J. Gómez-Segura, J. Veciana, C. Rovira,
P. Gerbier, J. Tejada, N. Domingo and B.E. Williamson
Organic field effect transistors and transparent metallic flexible films based on organic molecules
(invited talk)
C. Rovira
Self-assembled nanoporous molecular magnets (invited talk)
J. Veciana
Hierarchically Organized Chemical Structures: From Supramolecularity to Hybrid Materials, ERAChemistry Workshop,
Mainz, Germany, February 2005
Magnetic metal-organic and purely organic nanoporous supramolecular architectures based on
free radicals (invited talk)
D. Maspoch, D. Ruiz-Molina, C. Rovira, N. Domingo, K. Wurst, J. Tejada and J. Veciana
Self-assembled tetrathiafulvalene derivatives for molecular electronics (oral)
M. Mas
Chromatographyc and Electrophoretic Progresses,
Olomouc, Czech Republic, February 2005
Native cyclodextrins as chiral selectors in electrophoretic separations of boron cluster anions (oral)
R. Vespalec, H. Horakova, A. Laromaine, F. Teixidor and C. Viñas
WS16 New Opportunities in Material Science: From Nano-Objects to Complex Materials,
Madrid, Spain, February 2005
Materials and devices for spintronics (invited talk)
J. Fontcuberta
XII Portuguese Materials Society Meeting. III International Materials Symposium (MATERIAIS
2005),
Aveiro, Portugal, March 2005
Precise characterization of selected silica-based materials from Grand Canonical Monte Carlo
simulations (oral)
21/2/08
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217
2005 MRS Spring Meeting,
San Francisco, U.S.A., March 2005
Interface control in all MOD coated conductors: Influence on the critical currents (invited talk)
A. Pomar, M. Coll, A. Cavallaro, J. Gàzquez, T. Puig, N. Romà, N. Mestres and X. Obradors
Growth mechanism and optimization MOD CeO2 buffer layers for TFA YBCO/CeO2 multilayers
(oral)
F. Sandiumenge, A. Cavallaro, M. Coll, J. Gazquez, T. Puig, A. Pomar, N. Romà, N. Mestres and
X. Obradors
Development of high-Ic ex-situ YBCO coated conductors: Trends in thickness dependence, grain
boundary networks and vortex pinning (oral)
R. Feenstra, A.A. Gapud, E.D. Specht, C. Cantoni, A. Ijaduola, J.R. Thompson, P.K Christen, T.G.
Holesinger, D.C. Larbalestier, A. Palau, T. Puig and X. Obradors
Mechanical and electronic properties of oligothiophene self assembled films by atomic force
microscopy (oral)
J. Chen, I. Ratera, A. Murphy, F. Ogletree, J.M. Fréchet and M. Salmeron
th
8 Meeting of the European forum for Processors of Bulk Superconductors,
Liege, Belgium, March 2005
Obtaining and characterization of YBCO/Ag/YBCO welds at different disorientation angles (oral)
B. Bozzo, X. Granados, E. Bartolomé, T. Puig and X. Obradors
Magnetization behavior of hybrid ferromagnetic-superconducting structures (oral)
X. Granados, M. Tornes, X. Obradors and W. Gawalek
th
11 MC Meeting and Workshop of WG Co-ordinators, Functional Molecular Materials, COST
Action D14 Workshop,
Toulouse, France, March 2005
Thin molecular organic films: Preparation and characterization (invited talk)
J. Fraxedas
Nanoporous molecular magnetic materials (invited talk)
J. Veciana
Transport through Single Molecules Workshop, ESF conference,
Leiden, The Netherlands, March 2005
Intramolecular electron transfer in organic radical ions. Molecular nanowires (invited talk)
V. Lloveras, J. Vidal-Gancedo, C. Rovira and J. Veciana
International Symposium on Frontier in Materials Design, Synthesis and Measurements,
Hyogo, Japan, March 2005
Molecular electronics with neutral TTF derivatives (invited talk)
C. Rovira
218
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FITEC-ECOMED,
Barcelona, Spain, March 2005
Energía nuclear: Química y tratamiento de residuos (oral)
F. Teixidor
Materiales superconductores y su aplicación electrotécnica (oral)
X. Obradors and X. Granados
nd
2 NanoSpain Workshop,
Barcelona, Spain, March 2005
Conductance in gold monoatomic wires containing oxygen and carbon impurities (oral)
E. Machado, S. Gacía, M. Brandbyge and P. Ordejón
Self–organized calix[4]arenes on Au(110): Fully resolved structure by a combined STM, LEED, and
GIXRD study (oral)
X. Torrelles
Nanopatterning of single-molecule magnets on length scales on a surface (oral)
Congreso de Arquitectura en Granada (ARQUITAXI),
Granada, Spain, March 2005
Materiales ligeros de última generación: La levedad de los aerogeles (invited talk)
A. Roig
III Jornadas de Jóvenes Investigadores,
Valencia, Spain, March 2005
Hablemos de divulgación (invited talk)
P. Gómez-Romero
XXXI Journées d’Étude des Équilibres entre Phases (JEEP 2005),
Barcelona, Spain, April 2005
Phase diagram of silicon from atomistic simulations (oral)
E.R. Hernández
Thermodynamics 2005,
Sesimbra, Portugal, April 2005
A systematic extension of molecular-based equations of state: Interfacial, derivative and critical
properties (oral)
Applicability of the soft-SAFT equation to the prediction of derivative properties (oral)
F. Llovell and L.F. Vega
21/2/08
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219
Phase equilibria and interfacial behavior of Lennard-Jones fluid mixtures from molecular dynamics
and density gradient theory (oral)
A. Mejía, J.C. Pàmies, D. Duque, H. Segura and L.F. Vega
Simposium on Surface Science,
Les Arcs, France, April 2005
Atomic scale study of oxygen induced faceting of Rh(553) (oral)
X. Torrelles
Technology Platform on P&T,
Karlruhe, Germany, April 2005
Fission radionuclides extraction with pristine, phosphorous and halogenated cobaltadicarbollide
(oral)
F. Teixidor
Ferroelectrics UK Conference,
Paisley, U.K., April 2005
Epitaxial BSTO/LNO bilayers for tunable microwave devices (oral)
L. Fàbrega
VII Escuela Nacional de Materiales Moleculares,
Boí Taüll, Spain, April 2005
Materiales magnéticos moleculares orgánicos y metal-orgánicos (invited talk)
J. Veciana
Cristalización y cristales (invited talk)
N. Ventosa
Transporte intramolecular (invited talk)
C. Rovira
Nanoimanes unimoleculares (invited talk)
D. Ruiz-Molina
Transistores orgánicos (invited talk)
M. Mas-Torrent
Nanocomposites para almacenamiento y conversión de energía (invited talk)
P. Gómez-Romero
Pilas de hidrógeno. Nuevas piezas en el puzzle de la energía (invited talk)
P. Gómez-Romero
Auto-ensamblaje de derivados de TTF en superficies (oral)
J. Puigmartí, D.B. Amabilino, S. De Feyter and H. Ujii
Complejos con tautomerismo de valencia en matrices poliméricas (oral)
E. Evangelio, J. Gómez, J. Veciana and D. Ruiz-Molina
220
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Transistores orgánicos de efecto de campo basados en derivados de tetratiafulvalenos (oral)
N. Crivillers, M. Mas-Torrent, S.T. Bromley, K. Wurst, P. Hadley, C. Rovira and J. Veciana
Preparación eco-eficiente de nanosuspensiones mediante el nuevo procedimiento DELOS-SUSP
(oral)
M. Cano, N. Ventosa, S. Sala and J. Veciana
Lithium Battery Discussions,
Arcachon, France, May 2005
NMR studies of battery materials: Applications to the Li2MnO3-Li(NiMn)0.5O2 system, lithium manganese
nitrides and other paramagnetic materials (invited talk)
N. Dupré, J. Breger, M. Jiang, J. Cabana, M.R. Palacín and C.P. Grey
Transmediterranean Symposium on Organometallic Chemistry and Catalysis (RENACOM
2005),
Marrakech, Morocco, May 2005
Synthesis of new sulfur containing ruthenacarborane complexes: Self-assembly of a mercaptane
ruthenacarborane complex by an unconventional effect (oral)
J. Giner, F. Teixidor, C. Viñas, A. Lledós, G. Ujaque, M. Hursthouse and M.E. Light
Internacional Symposium on Supercritical Fluids (ISSF 2005),
Orlando, U.S.A., May 2005
Quantitative predictions of critical mixtures from a molecular-based equation of state (oral)
DELOS processing of pharmaceutically active compounds (oral)
N. Ventosa, S. Sala, M. Muntó, M. Cano, M. Gimeno, C. Ventosa and J. Veciana
Microscopic understanding of “CO2-expanded solutions”: A relevant knowledge for the production
of nano- and micron-sized powders trough the DELOS process (oral)
S. Sala, N. Ventosa, T. Tassaing, Y. Danten, M. Besnard and J. Veciana
XX Congreso de la Sociedad Mexicana de Electroquímica y V Congreso Anual de la Sociedad
Mexicana del Hidrógeno,
Morelos, México, May 2005
Polibencimidazoles y materiales híbridos para pilas de combustible poliméricas (invited talk)
P. Gómez-Romero
nd
2 International Conference on Polymer Batteries and Fuel Cells,
Las Vegas, U.S.A., June 2005
NMR studies of battery materials: Applications to the Li2MnO3-Li(NiMn)0.5O2 system, lithium manganese
nitrides and other oaramagnetic materials (invited talk)
C. Grey, J. Breger, M. Jiang, N. Dupre, J. Cabana and M.R. Palacín
21/2/08
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221
Joint Meeting Bioelectrochemistry 2005,
Coimbra, Portugal, June 2005
Potassium ion selective solid contact microelectrode based on a novel 1,3-(di-4-oxabutanol)calix[4]arene-crown-5 neutral carrier (oral)
I.A. Marques de Oliveira, F. Vocanson, Z. Asfari, R. Lamartine, N. Zine, J. Bausells, F. Teixidor, C.
Viñas, J. Samitier and A. Errachid
Novel all-solid-state copper (II) microelectrode based on a dithiomacrocycle as a neutral carrier
(oral)
I.A. Marques de Oliveira, M. Pla, L. Escriche, J. Casabó, N. Zine, J. Bausells, F. Teixidor, C. Viñas,
J. Samitier and A. Errachid
State of the Art, Developments and Perspective of Real Space Electronic Structure Techniques
in Condensed Matter and Molecular Physics, CECAM Workshop
Lyon, France, June 2005
Electronic transport in nanostructures from first principles (invited talk)
P. Ordejón
Introduction: A bit of history on previous CECAM workshops (invited talk)
P. Ordejón
Electronic stopping power from real-time evolution within time-dependent density functional theory
(oral)
M. Pruneda
Radiation Damage Working Group Workshop, NIEeS,
Cambridge, U.K., June 2005
Short range repulsive inter-atomic interactions for cascades simulations (oral)
M. Pruneda
Heating electrons in radiation damage from TD-DFT’ (oral)
M. Pruneda
The role of point defects in irradiated oxides from ab-initio (oral)
M. Pruneda
European Materials Research Society Spring Meeting (E-MRS 2005),
Strasbourg, France, June 2005
Supramolecular approaches to nanoporous molecular magnetic materials. From nanoscale clusters
to 3-D magnets (invited talk)
J. Veciana
Materials and devices for spin manipulation (invited talk)
J. Fontcuberta
A new approach to increase the Curie temperature of Fe-Mo double perovskites (oral)
D. Rubí
222
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Coated Conductors Workshop on Processing and Characterization,
Montabaur, Germany, June 2005
Interface control in all MOD coated conductors: Influence on the critical current (oral)
M. Coll, A. Cavallaro, J. Gàzquez, N. Romà, J.C. González, J. Gutierrez, T. Puig, N. Mestres, F.
Sandiumenge, A. Pomar, S. Ricart and X. Obradors
Growth mechanisms and critical current control in YBa2Cu3O7 films by the TFA route (oral)
J. Gàzquez, F. Sandiumenge, J.C. González, M. Coll, T. Puig, N. Mestres, A. Pomar, K. Zalamova, N.
Romà, S. Ricart and X. Obradors
th
Final Evaluation Conference and 12 MC meeting, Functional Molecular Materials, COST Action
D14,
Sant Feliu de Guixols, Spain, June 2005
Dual-mode switching arrays based on valence tautomerism (oral)
E. Evangelio, J. Veciana and D. Ruiz-Molina
Endometallofullerenes: From gram-scale preparation to new atractive fiElds of carbone cluster
reSearch (oral)
E. Laukhina, I. Kareev, V. Bubnov, E. Yagubskii, V. Kozlovski, J. Vidal-Gancedo, J. Veciana and C.
Rovira
Matter, Materials and Devices Meeting,
Genova, Italy, June 2005
Novel oxides and devices for spin manipulation (invited talk)
J. Fontcuberta
IV Jornadas Nacionales de Ingeniería Termodinámica,
Logroño, Spain, June 2005
Potencialidad de las ecuaciones de estado moleculares como herramienta predictiva en termodinámica
(oral)
L.F. Vega, F. Llovell and J.C. Pàmies
Catálisis y Materiales Mesoestructurados (SECAT’05),
Móstoles, Spain, June 2005
Caracterización precisa de materiales micro/mesoporosos mediante simulación molecular (oral)
XXII Reunión Bienal de la Sociedad de Microscopía de España,
Granada, Spain, June 2005
Water nanodroplets confined in molecular nanobeakers (oral)
J. Fraxedas, A. Verdaguer, F. Sanz, S. Baudron and P. Batail
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223
5º Congreso Iberoamericano de Ciencia y Tecnología de Membranas (CITEM 2005),
Valencia, Spain, July 2005
Conducting organic polymers as intelligent membranes (invited talk)
F. Teixidor
th
8 European Conference on Molecular Electronics (ECME8),
Bologna, Italy, July 2005
Organic field effect transistors based on tetrathiafulvalene derivatives (invited talk)
C. Rovira
International Conference on Solid State Ionics (SSI-15),
Baden-Baden, Germany, July 2005
Planar conductivity measurements on La2NiO4 epitaxial films (oral)
M. Burriel, J. Santiso, G. Garcia and J.A. Pardo
st
MC7: Functional Materials for the 21 Century,
Edinburgh, U.K., July 2005
Sol-gel synthesis of ␧-Fe2O3 nanoparticles and tunning of the material magnetic properties (oral)
M. Gich, A. Roig, J. Sort, J. Nogués, C. Frontera, M. Popovici and E. Molins
International Workshop on Nanomagnetism COMA-RUGA 2005,
Coma-Ruga, Spain, July 2005
Deposition and nanopatterning of Mn12 single-molecule magnets on surfaces (invited talk)
J. Veciana
th
14 European Symposium on Organic Chemistry,
Helsinki, Finland, July 2005
Transfer of chirality viewed at the nanometer scale (invited talk)
D.B. Amabilino, M.M.S. Abdel-Mottaleb, S. De Feyter, F.C. De Schryver, A. Gesquière, W. Mamdouh,
H. Uji-i and J. Veciana
VII Reunión Nacional de Electrocerámica,
Teruel, Spain, July 2005
Chemical solution deposition of epitaxial superconducting YBCO layers and multilayers for coated
conductors (invited talk)
X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, N. Mestres, M. Coll, A. Cavallaro, N. Romà, J.
Gàzquez, J.C. González, O. Castaño, J. Gutiérrez, A. Palau, K. Zalamova, S. Morlens, A. Hassini, M.
Gibert, S. Ricart, J.M. Moretó and S. Piñol
Efecto de las tensiones en las propiedades de transporte de capas epitaxiales de Sr4Fe6O13±d
(oral)
C. Solís, J. Santiso, J.A. Pardo, G. Garcia, M. Burriel and M.D. Rossell
224
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Characterization of La2NiO4 epitaxial films obtained by PIMOCVD (oral)
M. Burriel, G. Garcia, M.D. Rossell, J.A. Pardo, C. Solis and J. Santiso
Cinética y caracterización de capas finas de YBa2Cu3O7-x crecidas por el método sol-gel de MODTFA (oral)
S. Piñol, O. Castaño, A. Pomar, T. Puig and X. Obradors
Pilas de combustible de temperatura intermedia basadas en electrolitos de base ceria (oral)
S. Piñol, O. Castaño, A. Cavallaro, X.G. Capdevila, M. Segarra and F. Espiell
Coexistencia de ferromagnetismo y orden de carga en óxidos cerámicos Bi1-xSrxMnO3 (x<<0.5)
(oral)
J.L. García-Muñoz, C. Frontera, M. Respaud, M. Hervieu, M. Giot, M.A.G. Aranda, C. Ritter, A. Calleja
and X.G. Capdevila
Trends in Nanotechnology 2005 (TNT2005),
Oviedo, Spain, August 2005
Electronic transport in nanostructures from first principles (invited talk)
P. Ordejón
XX Congress of the International Union of Crystallography (IUCr2005),
Florence, Italy, August 2005
Crystal structure-mobility correlation in TTF based organic field-effect transistors (invited talk)
C. Rovira
International Center for Materials Research Summer School on Stereochemcial Aspects of Novel
Materials,
California, U.S.A., August 2005
Nanoporous molecular materials (invited talk)
J. Veciana
th
230 ACS National Meeting, Division of Polymer Chemistry,
Washington, U.S.A., September 2005
Electrochemistry as a correlation tool candidate with catalytic activities in ruthenium(II)-catalysed
atom transfer radical polymerisation? (oral)
A. Demonceau, A. Richel, C. Viñas, O. Tutusaus, F. Teixidor and A.F. Noels
th
11 International Conference on the Applications of the Density Functional Theory in Chemistry
and Physics,
Ginebra, Switzerland, September 2005
An unprecedented SH···HB dyhidrogen bond: Rationalising a supramolecular two-dimensional
polymeric network using DFT and AIM’s theory (oral)
A. Comas-Vives, G. Ujaque, A. Lledós, J. Giner, C. Viñas and F. Teixidor
21/2/08
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225
th
12 International Conference on Boron Chemistry (IMEBORON-XII),
Sendai, Japan, September 2005
Regioselective substitution and multihalogenation in cobaltabisdicarbollide [3,3’-co(1,2-C2B9H11)2]clusters (oral)
I. Rojo, F. Teixidor, C. Viñas, P. Farràs, R. Kivekäs and R. Sillanpää
Carbon extrusion in 1,2-dicarba-closo-dodecaboranes by chemical reduction of 1,2-closo-C2B10H12
cluster to [9,12-nido-C2B10H13]- in carbon substituted derivatives. A route for the regioselective B
substitution in ten-vertex closo-monocarbaborane anionic compounds (oral)
C. Viñas, F. Teixidor, A. Laromaine, R. Sillanpää, R. Kivekäs and J.I. Llambias
Psi-k Conference 2005, Toward Atomistic Materials Design,
Schwabisch Gmund, Germany, September 2005
Electronic stopping power from real-time evolution within time-dependent density functional theory
(oral)
M. Pruneda
European Congress on Advanced Materials and Processes (EUROMAT 2005),
Sol-gel synthesis of epsilon-Fe203 nanoparticles and tuning of the material magnetic properties
(oral)
M. Gich, A. Roig, C. Frontera, E. Molins, J. Sort, J. Nogués and M. Popovici
International Conference on the Applications of the Mössbauer Effect (ICAME 2005),
Montpellier, France, September 2005
Charge and spin dynamics in organometallic compounds as seen by Mössbauer espectroscopy
(invited talk)
E. Molins, M. Gich, A. Roig, J. Tejada, I. Chávez, J.M. Manriquez and J.M. Grenèche
th
11 European Conference on Power Electronics and Applications (EPE’05),
Dresden, Germany, September 2005
Experimental determination of lifetime engineering effects on free-carrier concentration (oral)
X. Perpiñà, X. Jordà, J. Vobecký, M. Vellvehi, J. Millán and N. Mestres
th
7 European Conference on Applied Superconductivity (EUCAS’05),
Vienna, Austria, September 2005
Progress towards all chemical superconducting YBa2Cu3O7 coated conductors (invited talk)
X. Obradors, T. Puig, A. Pomar, F. Sandiumenge, N. Mestres, M. Coll, A. Cavallaro, N. Romà, J.
Gàzquez, J.C. González, O. Castaño, J. Gutiérrez, A. Palau, K. Zalamova, S. Morlens, A. Hassini, M.
Gibert, S. Ricart, J.M. Moretó, S. Piñol, D. Isfort and J. Bock
Kinetics characterization of YBCO thin films growth on LAO (100) single crystals by the TFA-MOD
reaction (oral)
S. Piñol and O. Castaño
226
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The Sixth International Symposium on Crystalline Organic Metals, Superconductors, and
Ferromagnets (ISCOM 2005),
Key West, U.S.A., September 2005
Salts based on DT-TTF and metal bisdichalcogenenene complexes; multistability in (DT-TTF)4[M(L)2]3
(M = Au, Cu; L = pds, pdt, bdt) (invited talk)
J.C. Dias, X. Ribas, J. Morgado, J. Seiça, E.B. Lopes, I.C. Santos, R.T. Henriques, K. Wurst, P. FouryLeylekian, E. Canadell, J. Vidal-Gancedo, J. Veciana, C. Rovira and M. Almeida
Organic electronics with neutral TTF derivatives (invited talk)
C. Rovira
Measuring energies at the nanometer-scale of molecular organic materials with an Atomic Force
Microscope: TTF-TCNQ as a case study (oral)
J. Fraxedas, J. Langer, I. Díez and F. Sanz
An approach to the origin of transport properties in a series of molecular conductors, based on
XPS and spectroscopic studies (oral)
L. Valade, J. Fraxedas, D. de Caro, J.-P. Savy, I. Malfant, C. Faulmann and M. Almeida
International Conference on Perovskites - Properties and Potential Applications,
Zurich, Germany, September 2005
The crystal and magnetic structures of Sr2RERuO6 revisited (oral)
M. Aguirre, R. Ruiz-Bustos, E. Morán, J.L. Garcia-Muñoz, R. Sáez-Puche and M.A. Alario-Franco
Faraday Discussions 131. Molecular Wires and Nanoscale Conductors,
Manchester, U.K., September 2005
Intramolecular electron transfer in organic molecules influence of bridge (invited talk)
C. Rovira
European Conference on Surface Science (ECOSS’ 23),
Berlin, Germany, September 2005
Friction - velocity and friction – anisotropy dependence in organic self assembled monolayers (oral)
I. Ratera, J. Chen, J. Park, F. Ogletree and M. Salmeron
First Meeting on Organic Photovoltaic, Electro-optic and Electronic Devices,
Benicassem, Spain, September 2005
Organic field-effect transistors based on tetrathiafulvalene derivatives (oral)
M. Mas
XXX Reunión Bienal de la Real Sociedad Española de Física y Química,
Lugo, Spain, September 2005
Reacciones de intercalación y superconductividad en nitrurohaluros laminares (invited talk)
A. Fuertes
Boron clusters, do they receive the deserved interest? (invited talk)
F. Teixidor
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227
Intramolecular electron transfer (IET) phenomena. From basic science to multifunctional multi-state
switching devices (invited talk)
J. Veciana
Empleo de clusteres de carborano en la funcionalizacion de nuevos sistemas dendrimericos.
Propiedades y reactividad (oral)
A. González-Campo, R. Núñez, F. Teixidor, C. Viñas, R. Kivekäs and R. Sillanpaä
Seminario Anual de Automática, Electrónica Industrial e Instrumentación (SAAEI’05),
Santander, Spain, September 2005
Non-contact position and power radiation sensing system for IIR-LD equipments (oral)
X. Perpiñá, X. Jordà, M. Vellvehi, P. Godignon, J. Millán and N. Mestres
US-Spain Workshop on Nanomaterials,
Segovia, Spain, September 2005
Chemical solution growth of superconducting YBCO conductors and functional oxide nanoobjects
(oral)
A. Pomar
th
14 International Workshop on Heterostructure Technology (HETECH2005),
Smolenice, Slovakia, October 2005
Optical studies of structural properties in advanced semiconductor structures (invited talk)
M.I. Alonso
Phonon engineering in Si/Ge nanostructures (oral)
P. Lacharmoise, J.O. Ossó, A.R. Goñi, M.I. Alonso, M. Garriga, N.D. Lanzilloti-Kimura and A. Fainstein
CdSe quantum dots with ZnCdMgSe barriers emitting throughout the visible spectrum (oral)
J.S. Reparaz, M.I. Alonso, A.R. Goñi, M.N. Perez-Paz and M.C. Tamargo
Micro-Raman spectroscopy of residual strain in InGaAs/GaAs origami microtubes (oral)
A. Bernardi, A.R. Goñi, M.I. Alonso, P.O. Vaccaro and N. Saito
Carbon-induced growth of self-assembled germanium quantum dots: Interdiffusion and surface
dynamics (oral)
A. Bernardi, J.O. Ossó, M.I. Alonso, A.R. Goñi and M. Garriga
th
The 28 International Semiconductor Conference (CAS 2005),
Sinaia, Rumania, October 2005
A study of the thermal oxidation of TaSi2 and Ta2Si silicides to form dielectric layers for MIS structures
on 4H-SiC (oral)
A. Pérez-Tomas, P. Godignon, N. Mestres, J. Montserrat and J. Millán
Fabrication of electrostatic resonators with monocristaline 3C SiC grown on silicon (oral)
M. Placidi, P. Godignon, N. Mestres, J. Esteve, G. Ferro, A. Leycuras and T. Chassagne
228
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Jornadas Internacionales de Equipos Eléctricos (JIEEC’05),
Bilbao, Spain, October 2005
Los superconductores: Una nueva visión del transporte de energía (oral)
X. Granados and X. Obradors
th
5 International Workshop on Processing and Applications of Superconducting (RE)BCO Large
Grain Materials (5th PASREG 2005),
Tokyo, Japan, October 2005
Superconductive joining of single domain YBCO bulks by thin silver foils: Dependence of critical
current densities with the mismatch angle (oral)
X. Granados, B. Bozzo, E. Bartolomé, T. Puig and X. Obradors
Workshop on Molecular Materials 2005: Research Frontiers in Molecular Materials Science,
Sacavem, Portugal, October 2005
Intramolecular electron transfer. From basic science to multifunctional multi-state switching devices
(invited talk)
J. Veciana
Organic electronics with neutral TTF derivatives. Field effect transistors (invited talk)
C. Rovira
Max-Planck-Institute of Colloids and Interfaces Summer School,
Tarragona, Spain, October 2005
Preparation of nanosuspensions of molecular materials from CO2 expanded solutions (oral)
M. Cano, N. Ventosa, S. Sala and J. Veciana
th
The 12 International Workshop on Oxide Electronics,
Cape Cod, U.S.A., October 2005
Quantum effects on the electrical transport in metallic oxides (oral)
G. Herranz
Segunda Reunión de Expertos en Tecnologías de Fluidos Supercríticos (FLUCOMP),
Valladolid, Spain, October 2005
Estabilización de suspensiones de nanopartículas recubiertas en solventes supercríticos (oral)
Synthesis and characterization of metal doped carbon aerogels (oral)
C. Cotet, L. Martin, S. Martínez, A. Roig, A. Vallribera, E. Molins and M. Moreno
Estudio macroscópico y microscópico de disoluciones orgánicas expandidas con CO2 (oral)
S. Sala, N. Ventosa, M. Cano, J. Veciana, T. Tassaing, Y. Danten and M. Besnard
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229
Solucions Tecnològiques per a PYMES,
Cerdanyola del Vallès, Spain, October 2005
Nous materials magnètics: Sensors, memòries magnètiques i comunicacions més segures (invited
talk)
J. Fontcuberta
th
17 ICREA Colloquium,
Barcelona, Spain, October 2005
Squeezing light from Ge/Si quantum dots: A challenge of semicondutor nanotechnology (invited
talk)
A.R. Goñi
XVI Congreso Chileno de Ingeniería Química,
Pucón, Chile, November 2005
El uso de ecuaciones de estado moleculares para la predicción cuantitativa de propiedades de
fluidos (oral)
Dinámica molecular de fases e interfases en equilibrio (oral)
A. Mejía, L.F. Vega and H. Segura
th
50 Magnetism and Magnetic Materials Conference,
San José, U.S.A., November 2005
Electronic phase separation in epitaxial (001) and (110) La2/3Ca1/3MnO3 films (oral)
J. Fontcuberta
Multiferroic YMnO3 epitaxial thin film (oral)
J. Fontcuberta
Spin filtering through ferromagnetic BiMnO3 tunnel barriers (oral)
M. Gajek, G. Herranz, M. Bibes, A. Barthélémy, K. Bouzehouane, S. Fusil, J.M. Triscone, P. Paruch,
M. Dawber, M. Varela, J. Fontcuberta and A. Fert
Spitronics with spinel ferrites (oral)
U. Lüders, G. Herranz, M. Bibes, K. Bouzehouane, E. Jacquet, J.-P. Contour, S. Fusil, J.-F. Bobo, J.
Fontcuberta, A. Barthélémy and A. Fert
II Simposium de Investigadores Jóvenes,
Ciudad Real, Spain, November 2005
Syntheses of new sulfur containing ruthenacarborane complexes: Self-assembly of a mercaptane
ruthenacarborane complex by an unconventional cooperative effect (oral)
J.G. Planas, C. Viñas, F. Teixidor, A. Comas-Vives, G. Ujaque, A. Lledós, M.E. Light and M.B.
Hursthouse
Friction tranferéncia electrónica intramolecular: Sintonización de energía mediada por disolvente (oral)
I. Ratera, C. Sporer, D. Ruiz-Molina, N. Ventosa, A.M. Brouwer, C. Rovira and J. Veciana
230
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I Jornada sobre Nanofabricación,
Zaragoza, Spain, November 2005
Mecanismos de crecimiento en epitaxias de óxidos (invited talk)
F. Sánchez
Preparación de películas delgadas mediante PLD y MOCVD (oral)
J. Santiso
Plataforma Tecnológica para la Química Sostenible, Materiales y Nanotecnología,
Barcelona, Spain, November 2005
Moléculas para la electrónica. De los materiales moleculares a los dispositivos (invited talk)
C. Rovira
Instituto de Ciencia de Materiales de Madrid, 10 años de Investigación,
Madrid, Spain, November 2005
Moléculas orgánicas para la electrónica. De los materiales moleculares a los dispositivos (invited
talk)
C. Rovira
Materials Research Society Fall Meeting,
Boston, U.S.A., December 2005
New trends in electrode materials (invited talk)
J. Cabana and M.R. Palacín
Magnetoelectric coupling in ε -Fe2O3 nanoparticles (oral)
M. Gich, N. Bellido, C. Frontera, A. Roig, E. Molins, Ch. Simón and J. Fontcuberta
Spin filtering through ferromagnetic BiMnO3 tunnel barriers (oral)
M. Gajek, M. Bibes, A. Barthélémy, K. Bouzehouane, S. Fusil, G. Herranz, J.M. Triscone, P. Paruch,
M. Dawber, M. Varela, J. Fontcuberta and A. Fert
X European Meeting on supercritical Fluids,
Colmar, France, December 2005
Self-assembled silane monolayers on the surface of nanometric particles obtained using supercritical
treatment (oral)
C. Domingo, E. Loste, C. García and A.M. López-Periago
Eco-efficient particle design with DELOS process, using 1,1,1,2-tetrafluoroethane (R-134a) expanded
solvents (oral)
M. Gimeno, S. Sala, N. Ventosa and J. Veciana
Crystallization of single molecule magnets by compressed fluids with control of particle size and
morphology (oral)
M. Munto, J. Gomez, J. Campo, D. Ruiz-Molina, N. Ventosa and J. Veciana
21/2/08
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231
Pacifichem 2005,
Honolulu, U.S.A, December 2005
Nanoporous molecular-organic and metal-organic-magnetic materials (invited talk)
J. Veciana, D. Maspoch, D. Ruiz-Molina, C. Rovira, K. Wurst, N. Domingo and J. Tejada
Magnetic information storage by using patterned Mn12 single molecule magnets on surfaces (invited talk)
J. Veciana, J. Gomez-Segura, D. Ruiz-Molina, M. Cavallini, M. Massi, C. Albonetti, C. Rovira and F.
Biscarini
DELOS precipitation process: Straightforward eco-efficient production of micro- and nanoparticulate
materials from CO2-expanded solutions (invited talk)
N. Ventosa, S. Sala, M. Muntó, M. Cano, M. Gimeno and J. Veciana
First European Fuel Cell Conference,
Roma, Italy, December 2005
Preparation and electrical properties of intermediate temperature solid oxide fuel cells based on
ceria electrolytes (oral)
S. Piñol, X. Capdevila and M.Segarra
Jornadas de Física Bariloche 2005 - Conmemorando los 50 años del Instituto Balseiro,
Bariloche, Argentina, December 2005
Squeezing light from Ge/Si quantum dots: A challenge of semicondutor nanotechnology (invited talk)
A.R. Goñi
232
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Conferences organized by the ICMAB-CSIC, 2004-2005
Plasma Polymers and Related Materials, Cost 527. III Joint Workgroup Meeting
Chairman: Hynek Biederman and Susana Garelik, ICMAB/COST527
Nº of attendants: 60
IV Escuela de resonancia paramagnética electrónica
Alicante, Spain, September 2004
Chairman: Dr. José Vidal-Gancedo
IV Congreso español de microscopía de fuerzas y efecto túnel
Vic, Spain, September 2004
Chairman: Dr. Jordi Fraxedas
Jornades CeRMAE “Nous materials per a lénergia del futur”
Bellaterra, Spain, November 2004
Chairman: Prof. Xavier Obradors
VII Escuela nacional de materiales moleculares
Boi Taull, Spain, April 2005
Chairman: Dr. David Brian Amabilino and Dr. José Vidal-Gancedo
Functional molecular materials. Final evaluation conference of the chemistry COST Action D14
Chairman: Dr. José Vidal-Gancedo and Dr. Jaume Veciana
State-of the-art, developments and perpectives of electronic structure techniques in condensed
matter and molecular physics, Workshop del CECAM y Psi-K
Lyon, France, June 2005
Chairman: Dr. Eduardo R. Hernández, Dr. Emilio Artacho and Dr. Thomas L. Beck
Plasma Polymers and Related Materials, Cost 527. IV and Final Joint Workgroup Meeting
Sant Feliu de Guixols, Spain, October 2005
Chairman: Hynek Biederman and Susana Garelik, ICMAB/COST527
Jornades CeRMAE “Nous materials per a lénergia del futur”
Sant Feliu de Guixols, Spain, November 2005
Chairman: Prof. Xavier Obradors
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233
PH. D. THESIS, 2004
Ph. D. Thesis, 2004
1. Jordi Cabana i Jiménez
Nitrurs i oxinitrurs de metalls de transició amb estructura antifluorita:
Síntesi, caracterització i aplicació en bateries de liti
Universitat Autònoma de Barcelona
Grade: Excel·lent «Cum Laude»
Ph. D. Supervisor: Dr. M. Rosa Palacín Peiró
2. Oscar Castaño Linares
Fabricación de cintas superconductoras de YBaCuO de altas
corrientes críticas
Ph. D. Supervisor: Dr. Salvador Piñol Vidal
3. Stephanie Chopin
Chimie du dianion C60 : Accès a de nouveaux dérivés
fonctionnels du fullerène C60. Application à la synthèse de
dyades et triades, et études de leurs propriétés
Université d’Angers - Universitat Autònoma de Barcelona
Grade: Tres Honorable avec Felicitacions
Ph. D. Supervisor: Prof. Concepció Rovira Angulo and Dr. J.
Couseau
4. Jordi Diaz Marcos
Preparación de substratos metálicos texturados de base
cobre para la fabricación de láminas superconductoras de
altas corrientes críticas
Universitat de Barcelona
Ph. D. Supervisor: Dr. Salvador Piñol Vidal and Dr. Mercedes
Segarra Garriga
5. Paula Giudici
On the spin instability and magnetic phases of the twodimensional electron gas
Technische Universität Berlin
Grade: 1 con mencion de honor
Ph. D. Supervisor: Dr. Alejandro R. Goñi
6. Elba Gomar Nadal
Organitzacions derivades del tetratiafulvalé a escala
nanométrica
Universitat Autónoma de Barcelona
Ph. D. Supervisor: Dr. David B. Amabilino
7. Gervasi Herranz Casabona
Growth mechanisms and functionalities of epitaxial metallic
ferromagnetic oxide thin films
Ph. D. Supervisor: Prof. Josep Fontcuberta Griñó
8. Simona Iliescu
Soldaduras superconductoras de cerámicas texturadas de
YBCO con soldante de Ag
Ph. D. Supervisor: Prof. Xavier Obradors Berenguer and Dr.
Teresa Puig Molina
-2
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9. Isaac Justicia Anto
Capes primes fotodegradatives de TiO2 anatasa sensibles
a la llum visible: Aplicacions mediambientals
Ph. D. Supervisor: Dr. Albert Figueras Dagà
10. David Martínez Bastidas
Optimización y procesado de materiales superconductores
de base mercurio de la familia HgBaCaCuO
Grade: Excel·lent
Ph. D. Supervisor: Dr. Salvador Piñol Vidal
11. Daniel Maspoch Comamala
Materials moleculars nanoporosos magnètics
Ph. D. Supervisor: Dr. Daniel Ruiz Molina and Prof. Concepció
Rovira Angulo
12. David Muñoz Rojas
Nuevos óxidos de plata y cobre por intercalación
electroquímica y otros métodos suaves
Ph. D. Supervisor: Dr. Nieves Casañ Pastor
13. Josep Oriol Ossó Torné
Growth, structure and optical properties of highly ordered
organic thin films of phthalocyanine and diindenoperylene
Grade: Excel·lent «Cum Laude» per unanimitat
Ph. D. Supervisor: Dr. Miquel Garriga Bacardí
14. Gerard Tobías Rosell
Nuevos oxinitruros laminares de niobio y tántalo y sistemas
relacionados: Síntesis, cristaloquímica y estructura electrónica
Ph. D. Supervisor: Dr. Amparo Fuertes Miquel and Prof. Enric
Canadell Casanova
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PH. D. THESIS, 2005
235
Ph. D. Thesis, 2005
1. Sabine Bahrs
Persistent photo-induced effects in high-temperature
superconducting RBa2Cu3O7-delta
Technical University of Berlin
Grade: 1 (sehr gut) mit Auszeichnung (summa cum laude)
Ph. D. Supervisor: Alejandro R. Goñi
2. Andrea Cavallaro
Optimisation of chemical solution deposited buffer layers for
YBa2Cu3O7 coated conductor development
Grade: Excel·lent
Ph. D. Supervisor: Dr. Felip Sandiumenge Ortiz and Prof.
Xavier Obradors Berenguer
3. Gemma Gabriel Buguñà
Purificació i estudi de la funcionalització de nanotubs de
carboni (SWNT)
Grade: Excel·lent “Cum Laude”
Ph. D. Supervisor: Prof. Carles Miravitlles Torras and Prof.
Jaume Casabó Gispert
4. Jordi Gómez Segura
Síntesis, caracterización y estudio en superficies de imanes
unimoleculares
Ph. D. Supervisor: Dr. Daniel Ruiz Molina
5. Juan Carlos González González
Coated conductors and YBCO TFA films: A micro-Raman
spectroscopy study
Ph. D. Supervisor: Dr. Teresa Puig Molina and Dr. Narcís
Mestres Andreu
6. Anna Laromaine i Sagué
Nous derivats del o-carbora que incorporen S, Se, N i P.
Reactivitat i propietats supramoleculars
Ph. D. Supervisor: Dr. Clara Viñas i Teixidor
7. Ulrike Lüders
Development and integration of oxide spinel thin films into
heterostructures for spintronics
Université Paul Sabatier de Toulouse and Universitat Autònoma
de Barcelona
Ph. D. Supervisor: Prof. Josep Fontcuberta i Griñó and Dr.
Jean François Bobo
8. Anna Palau Masoliver
Critical currents and dissipation of coated conductors:
Granularity and vortices
Ph. D. Supervisor: Dr. Teresa Puig Molina
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9. Raúl Pérez Rodríguez
Planar edge terminations for High Power 4H-SiC diodes and
related manufacturing process technology
Ph. D. Supervisor: Prof. Philippe Godignon and Dr. Narcís
Mestres Andreu
10. Xavier Perpiñá Giribet
IIR-LD measurements of temperature & free-carrier
concentration in power devices
Ph. D. Supervisor: Dr. Xavier Jordà Sanuy and Dr. Narcís
Mestres Andreu
11. Elisenda Rodríguez Vargas
Estudi del complex molecular {[C6N3H12)6Fe8(␮3-O)2
(␮2-OH)12]Br7(H2O)}Br.8H2O com a agent de contrast en
ressonància magnètica d’imatge
Ph. D. Supervisor: Prof. Elies Molins Grau and Dr. Anna Roig
Serra
12. Santi Sala i Vergés
Desenvolupament del nou mètode DELOS®de cristal·lització
amb fluids comprimits. Estudi a nivell molecular dels seus
fonaments
Ph. D. Supervisor: Prof. Jaume Veciana Miró and Dr. Nora
Ventora Rull
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237
INVITED TALKS, 2004
Invited talks, 2004
Prof. Chris Abell
Chemical and biological nanotechnology
Department of Chemistry, University of Cambridge, U.K.
December 2004
Ac. Aldoshin S.M
Chemical physics in Russia today: From fundamental research
to applied developments
Member of Presidium of Russian Academy of Sciences, Director
of the Institute of Problems of Chemical Physics RAS, Russia
January 2004
Mr. Laszlo Bax
Roadmapping nanomaterials development in the next 10
years
Director de Willems & van den Wildenberg España S.L.
November 2004
Dr. Johannes V. Barth
Supramolecular engineering of low-dimensional nanosystems
at surfaces
Institut de Physique des Nanostructures (IPN). Faculté des
Sciences de Base. EPFL, PHB Ecublens. Lausanne, France
January 2004
Prof. Thomas Bjørnholm
Organic molecules in electronic devices: Single molecule,
single electron transistors and self-assembled circuitry
Nano-Science Center, University of Copenhagen, Denmark
November 2004
Prof. Benjamin Burton
Relaxor ferroelectrics: An overview, plus first principles based
modeling
Center for Theoretical and Computational Materials Science,
NIST, U.S.A.
November 2004
Prof. Luis Brey Abalo
Theory of ferromagnetism in double perosvkites
Instituto de Ciencia de Materiales de Madrid (CSIC), Spain
February 2004
Dra. Francesca Campabadal
Segura
Dona i recerca al CSIC a Catalunya
Institut de Microelectrònica de Barcelona (IMB), Centre
Nacional de Microelectrònica (CNM-CSIC), Bellaterra, Spain
February 2004
Dr. Helmult Claus
Reversible oxidation and critical current of YBa2Cu3Ox films
and coated conductors
Argonne National Laboratory, Chicago, U.S.A.
May 2004
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Dr. Michel Wong Chi Man
A Bottom-Up approach to synthesize hierarchically structured
hybrid silica
Laboratoire Hétérochimie Moléculaire et Macro-moléculaire,
Ecole Nationale Supérieure de Chimie de Montpellier, France
July 2004
Dr. Frank DiStefano
Deaggregation and dispersion of nanoparticles
Air Products, Allentown, U.S.A.
February 2004
Prof. Martin Dressel
Electronic correlation in low-dimensional organic conductors
Physikalisches Institut Universitat Stuttgart, Germany
June 2004
Dr. Judith Driscoll
– Enhancement of vortex pinning in RE-123 films through
chemical modification
– Oxygen stoichiometry, phase stability, intergrowths, and
optimisation of LFMR in Sr2FeMoO6
Department of Materials Science and Metallurgy, University
of Cambridge, U.K.
March 2004
Dr. Ramon Eritja Casadellà
Ensamblaje de nanomateriales utilizando derivados sintéticos
del ADN
Institut de Biologia Molecular de Barcelona (IBMB) (CSIC),
Barcelona, Spain
October 2004
Dr. Xavier Fernández Busquets
Estudi i manipulació de biomolècules individuals amb el
microscopi de força atòmica
Research Centre for Bioelectronics and Nanobios-cience,
Barcelona Science Park, University of Barcelona, Spain
March 2004
Dr Duncan H. Gregory
Recent progress in nitride chemistry; developments and trends
School of Chemistry, University of Nottingham, U.K.
July 2004
Dr. Werner A. Hofer
Towards real-time high-resolution STM analysis: Eyes for
technology on the nanoscale
Surface Science Research Centre, The University of Liverpool,
U.K.
May 2004
Dr. Nicola Hüsing
Hierarchically structured silica monoliths
Institute of Materials Chemistry, Vienna University of
Technology, Austria
April 2004
Prof. Allan J. Jacobson
Mixed electronic-ionic conducting oxides
University of Houston, U.S.A.
July 2004
21/2/08
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239
INVITED TALKS, 2004
Dr. Christine Kretz
Presentation of the Air Products interests
Air Products and Chemicals, U.S.A.
September 2004
Dr. Søren Linderoth
The solid oxide fuel cell programme at Risø National Laboratory
Head of the Fuel Cells & Materials Chemistry Programme,
Roskilde, Denmark
February 2004
Dr. Luis M. Liz-Marzán
Diseño de materiales nanoestructurados usando nanopartículas
metálicas
Departamento de Química Física, Universidade de Vigo, Spain
April 2004
Prof. Talal Mallah
Designing magnetic molecular clusters and coordination
bimetallic nanoparticles
Université Paris Sud, Laboratoire de Chimie Inorganique,
France
September 2004
Dr. Jose Angel Martin Gago
Caracterización in y ex-situ de capas moleculares
autoensambladas mediante técnicas de análisis de superficies
April 2004
Dr. Francisco del Monte
Muñoz de la Peña
Materiales híbridos sol-gel con propiedades ópticas: De
nanocomposites a biomateriales
March 2004
Dr. Edgar Muñoz de Miguel
Materiales compuestos de nanotubos de carbono: Propiedades
y aplicaciones
Instituto de Carboquímica (CSIC), Zaragoza, Spain
May 2004
Prof. Waro Nakanishi
Construction of extended hypervalent system through
application of nonbonded interactions between heteroatoms
Department of Material Science and Chemistry, Faculty of
Systems Engineering, Wakayama University, Japan
July 2004
Dr. Pedro José de Pablo Gómez
Tubos, cintas y esferas: Formas geométricas importantes
para el nanomundo
Departamento de Física de la Materia Condensada C-III,
Universidad Autónoma de Madrid, Spain
March 2004
Prof. Soledad Penadés Ullate
Gliconanotecnología: Una metodología para preparar
nanopartículas biocompatibles con aplicación en biomedicina,
biotecnología y ciencia de materiales
Instituto de Investigaciones Químicas (CSIC), Sevilla, Spain
October 2004
Dr. Guido Pez
Challenges in hydrogen delivery and storage
Air Products and Chemicals, U.S.A.
September 2004
240
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Dr. Jascha Repp
Low-temperature scanning - tunnelling microscopy and atomic
manipulation of adsorbates on ultra-thin insulating films
IBM Zurich Research Laboratory, Switzerland
December 2004
Dr. Marc Sallé
TTF-Podands and TTF-Calixarene assemblies: Original structural
solutions towards Redox-responsive ligands
Université d’Angers, France
October 2004
Dr. Clément Sanchez
Nano-structured inorganic and hybrid organic-inorganic
materials constructed by «Chimie Douce»
Laboratoire de Chimie de la Matière Condensée, Université
Pierre et Marie Curie, France
November 2004
Dr. Agustí Sín
Technological aspects of SOFC and air separation membranes
Pirelli Labs, Italy
December 2004
Dr. Francisco José Terán Garcinuño
Effects of non-linear spin splitting on the quantum hall effect
Grenoble High Magnetic Field Laboratory, MPI/FKF - CNRS,
France
April 2004
Dr. Pablo O. Vaccaro
Self-positioning micromachined structures made by micro-origami
Department of Photonics, ATR, Wave Engineering Laboratories,
Kyoto, Japan
June 2004
Dr. Manuel Vázquez Villalabeitia
Arrays de nanohilos y nanopartículas magnéticas
Instituto de Ciencia de Materiales de Madrid (CSIC), Madrid,
Spain
October 2004
21/2/08
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INVITED TALKS, 2005
241
Invited talks, 2005
Dr. Stefan Adams
From bond valence maps to energy landscapes for mobile
ions in ion-conducting solids
Abteilung Kristallographie, Geowissenschaftliches Zentrum,
Universitaet Gottingen, Germany
February 2005
Dr. Myriam Haydee Aguirre
Descripción de propiedades estructurales y magnéticas de
MSMA-caso especial: Ni2±x±yMn1±yGa1±y
Institut für Angewandte Physik, Zürich, Schweiz
July 2005
Dr. Alessandro Benedetti
FIB sample preparation and Convergent Beam Electron
Diffraction (CBED) TEM strain analysis of silicon-based devices
IMEC, Interuniversity MicroElectronics Center, Leuven, Belgium
March 2005
Dr. Vladimir Cambel
Hall probe magnetometry
Department of Optoelectronics. Institute of Electrical
Engineering, Slovak Academy of Sciences. Slovakia
June 2005
Dr. Bruno Chaudret
Organometallic approach to metal nanoparticles: Synthesis,
surface chemistry and physical properties
Laboratoire de Chimie de Coordination CNRS, Toulouse, France
March 2005
Dr. John Clarke
SQUID-detected magnetic resonance imaging in microtesla
fields: A new clinical technique?
University of California/Berkeley, U.S.A.
July 2005
Dr. Horacio Corti
Fenómenos de transporte en materiales relacionados con
criopreservación y celdas de combustible
Centro Atómico Constituyentes - CNEA, Argentina
September 2005
Dr. Francisco de la Cruz
Condiciones de conmensurabilidad en estructuras de vórtices
sin orden posicional de largo alcance
Centro Atómico de Bariloche, San Carlos de Bariloche,
Argentina
February 2005
Dr. Alejandro Fainstein
Phonon engineering for THz acoustic nanodevices
Centro Atómico Bariloche & Instituto Balseiro, San Carlos de
Bariloche, Argentina
September 2005
Dr. Michel Fajfrowski
Nanoindentation basics and applications in materials science
MTS Systems France, France
October 2005
242
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Dr. Yanina Fasano
Superconducting spectroscopic properties and vortex matter
in the stoichiometric high-Tc YBCO-124 explored by scanning
tunnelling microscopy and magnetic decoration
Department of Condensed Matter Physics, University of
Geneva, Switzerlad
November 2005
Dr. Jean Galy
Spark Plasma Sintering: The «Flash Sintering Toulouse Center”
Centre d’Elaboration de Matériaux et d’Etudes Structurales,
CEMES-CNRS, Toulouse, France
January 2005
Prof. Guillermo González
Compuestos de intercalación como elementos de arquitectura
química
Universidad de Chile, Santiago de Chile
June 2005
Dr. Néstor Haberkorn
Correlación entre estructura cristalina y propiedades físicas
en superredes de perovskitas superconductor \ magnético
Centro Atómico Bariloche, San Carlos de Bariloche, Argentina
March 2005
Dr. Michael Hudson
Nuclear energy the new green source of electricity
Inorganic Materials and Separations, School of Chemistry,
University of Reading, U.K.
April 2005
Dr. Nuria López Alonso
Catálisis heterogénea desde una perspectiva teórica
Institut Català d’Investigació Química, Tarragona, Spain
October 2005
Dr. Patrick Maestro
Research and innovation at Rhodia, a specialty chemicals
company: A focus on inorganic chemistry and materials science
Vice-President of the Scientific and Technological Council,
Rhodia, Boulogne-Billancourt, France
July 2005
Boris Maiorov Ph.D.
Identification and engineering of different defects for improving
vortex pinning in YBa2Cu3O7 thin films and coated conductors
Superconductivity Technology Center, Los Alamos National
Laboratory, Los Alamos, New Mexico, U.S.A.
September 2005
Dr. Joel S. Miller
Extraordinarily long CC (2.9 A) CC bonds. What is a bond?
Department of Chemistry, University of Utah, U.S.A.
April 2005
Dr. Magda Moner i Girona
Investigació al «Renewable & Appropriate Energy Laboratory»:
Una visió multidisciplinar de la recerca en energies renovable
Renewable & Appropriate Energy Laboratory, Berkeley,
California, U.S.A.
February 2005
Dr. Motohiro Nakano
Classical spin-vector pictures of magnetization reversal
processes in SMMs and SCMs
Osaka University, Japan
July 2005
21/2/08
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243
INVITED TALKS, 2005
Dr. José Pascual Cosp
Fabricación de capas finas de materiales cerámicos sobre
gres porcelánico y de compuestos metal-cerámica por
electrospray térmico
Departamento Ingeniería Civil, de Materiales y Fabricación,
Universidad de Málaga, Spain
April 2005
Dr. Jérôme Plain
Using Van der Waals interactions to tune the long range
organization of nanocrystals
Laboratoire de Nanotechnologie et d’Instrumentation Optique,
Université de Technologie de Troyes, France
March 2005
Mr. Keith Price
How to present a good project to the VI WP
EOS Development Ltd., Cheltenham, U.K.
January 2005
Prof. David N. Reinhoudt
Writing with molecules on molecular printboards
Laboratory of Supramolecular Chemistry and Technology,
MESA+ Research Institute for Nano-technology, University of
Twente, The Netherlands
March 2005
Dr. Fernando Rey
Nuevas tendencias en la síntesis de zeolitas
Instituto de Tecnologia Quimica, CSIC-UPV, Valencia, Spain
May 2005
Dr. Antoine Ruyter
Vortex dynamics in microbridge single-crystals of Bi-2212
Laboratoire d’Electrodynamique des Matériaux Avances, LEMA
- Université de Tours, France
June 2005
Prof. Rainer Streubel
Phosphorus chemistry using unusual reactive intermediates
Institute for Inorganic Chemistry, University of Bonn, Germany
May 2005
Prof. John A. Turner
Materials and band-edge engineering approaches to
photoelectrochemical water splitting
National Renewable Energy Laboratory, Golden, Colorado,
U.S.A.
October 2005
Dr. Thirumalai Venkatesan
Advances in the pulsed laser (energy) deposition of multicomponent oxides
University of Maryland and Neocera, Inc., Maryland, U.S.A.
February 2005
Prof. Zuowei Xie
From 12- to 14-vertex carboranes
Department of Chemistry, The Chinese University of Hong
Kong, Shatin NT, Hong Kong, China
May 2005
Prof. Masahiro Yamashita
Nano-sciences of advanced metal complexes: Single-chain
quantum magnets and gigantic optical nonlinearity
Department of Chemistry, Graduate School of Science, Tohoku
University, Japan
January 2005
244
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Awards and other merits 2004 - 2005
Premis Sant Jordi a la Recerca 2004: Premi de la Societat Catalana de Química pel treball “Estudi
i optimizació de la matèria activa industrial per a elèctrodes positius en bateries recarregables de
niquel”
Montse Casas Cabanas, 2004
Premio de Investigación 2004 de la Real Sociedad Española de Química y Medalla de la FEIQUE
2004
Prof. Jaume Veciana Miró, 2004
President del Comite. European Powder Diffraction Conference
Prof. Jordi Rius Palleiro, 2004 and 2005
XV Premio DuPont de la Ciencia 2005
Prof. Jaume Veciana Miró, 2005
Fellow de la American Physical Society
Prof. Pablo Ordejón Rontomé, 2005
Chairman del Chemistry Review Committee. European synchrotron facility
Prof. Jordi Rius Palleiro, 2005
Chevalier dans lÓrdre des Palmes Academiques. Nombramiento por el Ministerio de la Educación
Nacional de Francia
Prof. Xavier Obradors Berenguer, 2005
Premio Nacional Instituto de Investigaciones en Materiales-UNAM2005 a la mejor Tesis Doctoral
en el área de ciencia e ingeniería de materiales. Otorgado por la UNAM de México
Dr. Ana Karina Cuentas Gallegos, 2005
Proyecto1:Maquetación 1
7/5/08
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2004-2005 - icmab-csic

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