Understanding the high reducibility of gallium(III)-doped ceria

M. CALATAYUD; F. TIELENS; J. VECCHIETTI; S. E. COLLINS; S. BERNAL; A. BONIVARDI

Munich

Congreso; 15th International Congress on Catalysis; 2012

Two major reasons justify the relevance in catalysis of ceria, first the ability to rapidly exchange oxygen with the chemical environment, with parallel and reversible shift of the cerium redox state (Ce4+/Ce3+), and second the mobility of O2- in its fluorite-type structure. Doping ceria with alio-cations is known to be an efficient and versatile way of modulating the textural, structural and chemical properties of the pure oxide. Thus, some of us have chosen the ceria-gallia system as a support for the study of the water gas shift reaction (1-3). This work presents the oxygen storage capacity (OSC) of the ceria and gallium-doped cerium(IV) oxide, together with periodic DFT calculations of the oxygen vacancy formation energy.