Catalytic role of gold in gold-based catalysts: A density functional theory study on the CO oxidation on gold

Journal of the American Chemical Society

Volumn 124, Issue 49, 2002, Pages 14770-14779

  Liu, Zhi Pan ^a   Hu, P ^a   Alavi, Ali ^b  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CARBON MONOXIDE; CATALYSIS; CHEMISORPTION; DISSOCIATION; OXIDATION; PROBABILITY DENSITY FUNCTION;

TRANSITION STATES;

GOLD;

CARBON MONOXIDE; GOLD; OXYGEN; TITANIUM DIOXIDE;

ADSORPTION; ARTICLE; CALCULATION; CATALYST; DISSOCIATION; MOLECULAR DYNAMICS; OXIDATION; SURFACE PROPERTY;

EID: 0037065325     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0205885     Document Type: Article

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