Boronat Zaragozá, Mercedes

Tenured Scientist (CSIC)


Graduate in Chemistry (1987-1992) and PhD in Chemistry (1999) at University of Valencia, Mercedes Boronat joined the Institute of Chemical Technology (ITQ) with a post-doctoral grant (1999-2001), and was Junior Researcher in CEAM Foundation (2001-2003). She returned to Prof. Corma’s group as Laboratory Research Technician at ITQ (2003-2007), and at present she is a Tenured Scientist of the Spanish National Research Council (CSIC).

Her work is focused on the theoretical study of reaction mechanisms, mostly heterogeneous catalyzed reactions. This field includes modeling, by means of quantum chemical methods, the electronic and structural properties of solid catalysts as diverse as zeolites, metal oxides, metal surfaces, metal clusters and nanoparticles either isolated or supported on organic (graphenes) or inorganic materials, metal organic frameworks (MOFs), etc.; the interactions betwen the catalysts and the molecules involved in the reaction, including simulation of spectroscopic properties; identifying the active centers and intermediate species involved in each step of the reaction, and calculation of adsorption, equilibrium and kinetic constants, with the final objective of designing more efficient catalysts.

She has published more than 100 articles in international journals, most of them with a high impact (Science, Nature Catalysis, Nature Materials, Nature Chemistry, J. Am. Chem. Soc, Angew. Chem., Chem. Sci., Acc. Chem. Res., ACS Catal., etc.) and two book chapters. She has participated in various projects financed by public organisms, being principal investigator (IP) in six of them, and in research work developed in collaboration with companies such as BP, Repsol-YPF and Solvay, which has resulted in being co-author of four patents. Director of five doctoral theses, three of them defended in 2016, 2019 and 2021, and two in progress. Member of CURES (Committee of Users of the Spanish Supercomputing Network) since September 2019 and Member of the Editorial Advisory Board of JACS Au journal since January 2021.