Universitat Rovira i Virgili

Xavier López Fernàndez
Vicedegà de la Facultat de Química
Associate Professor

Department of Physical and Inorganic Chemistry
Universitat Rovira i Virgili.
Marcel·lí Domingo 1.
43007 - Tarragona (Spain)
Tel: +34977558283
javier.lopez(ELIMINAR)@urv.cat
IRIS: 319763

Research

BsC. in Chemistry at the Universitat de Barcelona (1999) and PhD in Chemistry at the Universitat Rovira i Virgili (2003). He started his research career in the field of Computational Chemistry studying the electronic structure, the electrochemical properties and the acidity-basicity ofclassical polyoxometalates (Keggin and Wells-Dawson) applying the DFT method of calculation. Later he studied many other aspects of these molecules: reactivity, NMR of oxygen and phosphorus, relative stability of isomers, magnetism, dependence of the redox properties with the composition, size and charge of the system, encapsulation of small species, and lastly the adsorption in gold surfaces of some polyoxovanadates and their conductivity with periodic methods. He is also interested in the dynamical behaviour of polyoxometalates in solution (aggregation, formation of ionic pairs, interactions with the solvent). One of the present focus of interest is the capture of solar radiation by functionalized polyoxometalates for the clean generation of hydrogen. Between 2004 and 2006, during the postoc stay at the Université Louis Pasteur (Strasbourg, France) with Profs. Marc Bénard y Marie-Madeleine Rohmer, he analized the extended metal atom chains (EMACs), particularly the magnetism and its dependence with the ligands and the composition of the metal chain. He has analyzed with several computational techniques the electronic and magnetic properties, and also the dynamic behaviour of the chain to explain certain experimental facts with an involved interpretation. I have been the coordinator of the BsC. Degree in Chemistry in the period 2014-2022. Presently, I am the vice-dean of the Faculty of Chemistry of the URV.

Research lines: electronic structure and various properties of polyoxometal·lates and of molecular wires.

Teaching: Bachelor's Degree in Chemistry (subjects of the Physical Chemistry area): FORTRAN programming, Chemical Bonding, Applied Electrochemistry, Computational Chemistry (in English), Spectroscopy and Chemical Kinetics (in English), Physical Chemistry laboratories; Master's Degree in Training for Teachers of Compulsory Secondary Education and Upper Secondary Education. He supervises End of Degree Works in the BsC. and the MsC. degrees.