José Ignacio Martínez


Captura de pantalla 2016-09-12 a la(s) 17.45.30


Instituto de Ciencia de Materiales de Madrid (ICMM-CSIC)
Sor Juana Inés de la Cruz 3, 28049 Cantoblanco, Madrid, Spain
Office 366 – Tel. (+34) 91 334 9000 (ext. 366)



My main research line is placed within the context of the Theory and First-principles Simulation of Low-dimensional Functional Materials. I have focused, on one side, on the conceptual development of theoretical tools and models to understand the behavior of nanostructured materials and surfaces in nature. On the other side, I have covered the characterization of structural/mechanical, chemical reactivity/catalytic activity and spectroscopic properties of nanostructures with enhanced and emerging properties regarding targeted functionalities.

Within this context, during the last decade I have played a very active role in fields such as surface physics, computational physics, characterization of nanomaterials (from small clusters/nanoparticles, nanowires/tubes and layered materials, to their extended surfaces), catalysis, physico-chemical modeling and on-surface chemistry. Specifically, the main new materials and processes I have studied involve: i) on-surface-assisted formation of organic 2D-layers, and organic/metal (O-M) and metal-oxide (O-MO) interfaces, ii) novel chemical routes and nanomaterials (thermally-assisted H-induced etching of carbonaceous species) to explain the formation of Polycyclic Aromatic Hydrocarbons (PAHs) in space, and iii) advanced functional nanostructured catalyzers (pre-filtering of catalysts for their potential use in fuel/solar cells). I have developed a number of novel simple and predictive descriptors successfully linking the geometric arrangement of a large variety of nanostructured materials and surfaces of high technological interest to their intrinsic stability, chemical reactivity and catalytic properties. I have pioneered full first-principles studies of a wide variety of organic molecules forming different O-M and O-MO interfaces towards the design of nanoelectronic devices, and participated in the development of new routes towards the formation of pristine/N-doped graphene on metal surfaces from novel aromatic precursors by on-surface (cyclo)dehydrogenation reactions, as well as understanding other on-surface processes. Besides, I have studied novel nanostructured materials of high potential to be implemented in nanoelectronic devices (SiO2, RuO2 and SiO2@RuO2 composite nanotubes/wires), characterized new 2D-coordination polymers for gas-sensing purposes, and novel materials for their utilization in hydrogen storage, such as layered WS2 nanostructures.

The aforementioned scientific achievements have been adequately combined with the conceptual development of first-principles based methodologies towards the efficient and fast characterization of materials in all their nanostructured versions, such as home-made simulation codes implementing a theoretical state-of-the-art STM-imaging tool, energy level alignment in O-M and O-MO interfaces, and a thermally-assisted theoretical quenching tool to more efficiently trigger the phase-space for structural optimization. During my research career I have covered the study of the nanostructured functional materials from a highly interdisciplinary approach, involving chemistry, physics, and computational science, towards the guidance of multidisciplinary Material Science experimentalists on the basis of an efficient, fast and trustable theoretical pre-filtering of materials across their nanostructured versions on demand of the specific targeted functionalities.

TRAJECTORY. Bachelor in Physics at University of Valladolid (UVA) in 2002. PhD “summa cum laude” in Physics at UVA, 2007. 4 post-doctorate stages in prestigious research groups of Catalysis and Surface Science: FP7 post-doc at CAMD (Denmark), 2007-2009; FP7 and JdC post-docs at the Autonomous University of Madrid (UAM), 2009-2013; and CSIC-JaeDoc scientist (2013-2015) at the ICMM-CSIC (Madrid). Currently holding a contracted scientist FC3 position associated to the ERC-Synergy NANOCOSMOS Project at ICMM.

SCIENTIFIC CONTRIBUTIONS. I have coauthored >65 JCR articles in peer review journals, among them: 1 NatComm, 1 AdvMater, 3 AngewChemIntEd, 1 ACSNano, 2 ChemSci, 3 PRL, 2 Nanoscale, 2 ChemComm, 1 Carbon and 1 SciRep. Awarded with 7 artistic journal covers. Coauthor of 4 book chapters (one in a CRC Handbook of Nanophysics). Results have been personally communicated in >50 national and international symposiums (18 oral+12 invited and keynote contributions). >15 invited seminars for highly specialized research groups at CNRS (France), CAMD (Denmark), and DIPC, UAM and CSIC (Spain), among others.

R&D PROJECTS. Participation in 11 R&D Projects (8 national, 2 international EU-FP7, and 1 international ERC-Synergy).

SUPERVISION. During 2008-2011 I co-supervised a PhD Thesis at the DTU (Denmark) entitled “DFT Perspectives on the Activity and Stability of Electrocatalysts” (mark: passed with “summa cum laude”).

SCIENTIFIC COMMITMENT. External proposal evaluator for scientific national agencies: ANEP (Spain), FWF (Austria) and ANPCyT (Argentina). Frequent referee for the most prestigious scientific editorial groups (APS, ACS, RSC, Wiley&Sons, Nature PG, among others).

INTERNATIONALIZATION. I have opened and maintained a large number of relevant and fruitful international collaborations with the most prestigious groups in experimental and theoretical Material Science all over the world. I have participated in technological and knowledge transfer activities with several international fuel-cell enterprises (GERMANOS, NEDSTACK) and providing atomistic simulation tools to SAMSUNG KOREA. Large amount of international collaborative visits, scientific seminars and master classes given in international centers, as well as the designation as external international proposal evaluator, the co-supervision of a PhD Thesis in Denmark, and the mentioned collaborative efforts with international technological enterprises, endorse up to a high level the internationalization of my scientific trajectory.

TEACHING EXPERTISE. >60 ECTS (~500 teaching hours validated by Spanish ANECA) in courses of Physics and Chem. Eng. Degrees. Invited to teach a number of master classes within a Nanotechnology Master Program at CNRS (France). Ad-honorem Professor at UAM since 2013; and accredited Professor (Assistant, Contracted and Private University Professor) by ANECA.

De la composición y formación de la materia:

“… Los primeros principios (átomos) son seres corpóreos y homogéneos, ya que, aunque infinitos en número, cada uno, en sí mismo, no tiene intersticios. Cada átomo, en sí mismo, es finito, y en él no existe el vacío, por lo que estos no pueden ser divididos – los primeros principios son indivisibles –, y están dispersos (moviéndose) por todo un vacío infinito. Al mismo tiempo, las colisiones y las uniones entre primeros principios se producen mecánicamente y por azar. Estos sucesos son fortuitos y no siguen ninguna finalidad. Hay que diferenciar entre necesidad (remolino) y azar (sucesos fortuitos). Esto implica que cada objeto que surge en el universo, o cada suceso que se produce, es siempre el resultado de una cadena de colisiones y reacciones entre primeros principios y en donde, cada una de ellas (colisiones), se produce por efecto del remolino o necesidad, y en consonancia con la figura, por el orden y la posición de cada uno de los primeros principios (razón – necesidad). Podría decirse, por tanto, que… del desorden surge el orden…”

Leukippos (Leucipo)

– 370 a.C., Escuela Atomista Griega –


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