Influence of charge state on the mechanism of CO oxidation on gold clusters

Journal of the American Chemical Society

Volumn 130, Issue 5, 2008, Pages 1694-1698

  Bürgel, Christian ^a   Reilly, Nelly M ^b   Johnson, Grant E ^b   Mitrić, Roland ^a   Kimble, Michele L ^b   Castleman Jr , A W ^b   Bonačić Koutecký, Vlasta ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; COBALT COMPOUNDS; GOLD COMPOUNDS; OXIDATION;

ANIONIC CLUSTERS; CATIONIC GOLD OXIDE; ELEY-RIDEAL-LIKE MECHANISM; MULTIPLE COLLISION; NANOCATALYSIS;

ELECTRON ENERGY LEVELS;

CARBON MONOXIDE; GOLD; OXIDE;

ADSORPTION; ARTICLE; CATALYSIS; ENERGY; FORCE; GAS; MOLECULAR INTERACTION; MOTION; OXIDATION; PRESSURE; REACTION ANALYSIS;

EID: 38949158721     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0768542     Document Type: Article

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32. + and the second CO has not been fully optimized and is therefore not shown in Figure 4. The relative energy with respect to the reactants is about -2.5 eV.