Sastre Navarro, Germán

Research Scientist (CSIC)


1985-1990, Degree of Chemistry, Department of Physical-Chemistry, Faculty of Chemistry (University of Valencia). Physical and Quantum Chemistry.
1995, PhD Chemistry (University of Valencia). Quantum-chemical studies of xylene isomerisation in zeolites (supervisor: Prof. Avelino Corma).
1995-1996, Postdoc Computational Chemistry, Davy-Faraday Research Laboratory, London (U.K.). Physico-chemical properties of zeolites and silico-alumino-phosphates, and diffusion of hydrocarbons in zeolites (supervisor: Prof. Richard Catlow).
2000-current, Staff Research Member (Research Scientist), Institute of Chemical Technology (ITQ).
Visiting researcher at: University College London, 1999, London (U.K.) (host professor: Dewi W. Lewis); Imperial College of Science, 2002, London (U.K.) (host professor: Julian D. Gale); Nanochemistry Research Institute, 2004, Perth (Australia) (host professor: Julian D. Gale); Department of Materials Science, Tottori University, 2007, 2008 and 2010, Tottori (Japan) (host professor: Miki Niwa).

Main Research Topics:
Computational methods: molecular mechanics, molecular dynamics, atomistic forcefields, quantum chemistry, ab-initio methods, density functional theory.
Theory: chemical bonding in microporous materials, electric field in micropores, topology of three dimensional tetracoordinated nets.
Materials: solid state chemistry, zeolites, zeotypes, doped zeotypes, microporous materials, mesoporous materials, proton sponges, fullerenes, metal-organic frameworks (MOFs), coordination polymers, organometallic complexes.
Processes: reactivity in zeolites as catalysts (alkylation, acylation, isodewaxing, Knoevenagel condensation, Baeyer-Villiger oxidation), diffusion of hydrocarbons in zeolites, shape-selectivity, acidity (Brønsted and Lewis) in microporous materials, isomorphic substitution in zeolites (Ti, Ge, Sn, Al, P), synthesis of zeolites (effect of templates, synthesis in fluoride media, effect of germanium), physisorption of molecular hydrogen in metal-organic frameworks (hydrogen storage), excited states of organometallic complexes.

More information: