Journal
JOURNAL OF CATALYSIS
Volume 284, Issue 2, Pages 138-147Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcat.2011.09.010
Keywords
DFT; Oxidation; Gold species; Reaction mechanism
Categories
Funding
- Spanish MICINN [MAT2009-14528-C02-01, PLE2009-0046]
- CONSOLIDER Ingenio
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Gold nanoparticles smaller than similar to 2 nm show interesting catalytic properties arising from their size-determined electronic and geometrical structures. They are able to dissociate molecular O-2 with low activation barriers and become oxidized in a reversible way at low temperature. Several oxygen species adsorbed on the nanoparticle surface, as well as different gold sites including low coordinated neutral Au-0 atoms and cationic Au-I and Au delta+ species, are generated on the oxidized nanoparticles. The implication of these new sites in the mechanism of different gold-catalyzed reactions in which oxygen plays a crucial role is discussed here. (C) 2011 Elsevier Inc. All rights reserved.
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