O2 evolution on a clean partially reduced rutile TiO 2(110) surface and on the same surface precovered with Au1 and Au2: The importance of spin conservation

Journal of Chemical Physics

Volumn 129, Issue 7, 2008, Pages

  Chŕtien, Steeve ^a   Metiu, Horia ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PROBABILITY DENSITY FUNCTION;

SPIN-POLARIZED DENSITY-FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

GOLD; OXYGEN; TITANIUM; TITANIUM DIOXIDE;

ADSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; OXIDATION REDUCTION REACTION; QUANTUM THEORY; SURFACE PROPERTY; TEMPERATURE;

ADSORPTION; COMPUTER SIMULATION; GOLD; MODELS, CHEMICAL; OXIDATION-REDUCTION; OXYGEN; QUANTUM THEORY; SURFACE PROPERTIES; TEMPERATURE; TITANIUM;

EID: 50249167176     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2956506     Document Type: Article

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