Dr. J. Gracia

Dr. J. Gracia

Deputy Director


Phone: +86 10 6068 3997


Materials Science

Educational Activity:

Physical Properties of the Active Sites in Catalysis

Tutorial "Engineering the Active Sites in Catalysis"


Jose Gracia studied Physical Chemistry at the University of Zaragoza, Spain, and specialized in theoretical chemistry. He obtained his PhD at Rovira i Virgili University (Spain) in 2004, and worked in numerous groups and companies all around the world (Italy, Netherlands, Germany, USA, UK & Spain). In the course of this journey, he published around 30 scientific articles on various topics, including Fe FTS. His main ambition is to merge fundamental studies with applied technology.

Jose joined SynCat@Beijing in May 2015 as Deputy Director, and is presently working on the conceptual development of the research lines with Prof. Hans Niemantsverdriet. His current scientific interest focuses on the electronic properties of mixed metal oxides materials. 

Selected Publications

"Heating of Zeolites under Microwave Irradiation: A Density Functional Theory Approach to the Ion Movements Responsible of the Dielectric Loss in Na, K, and Ca A-Zeolites"

J. Gracia, M. Escuin, R. Mallada, N. Navascues, J. Santamaría, J. Phys. Chem. C 117 (2013) 15659

Link to article


"Mars-van Krevelen-like Mechanism of CO Hydrogenation on an Iron Carbide Surface"

J. Gracia, F. F. Prinsloo, J. W. Niemantsverdriet, Catal. Lett. 133 (2009) 257

Link to article


"Corrugated layered heptazine-based carbon nitride: the lowest energy modifications of C3N4 ground state"

J. Gracia, P. Kroll, J. Mater. Chem. 19 (2009) 3013

Link to article