Theoretical study of atomic oxygen on gold surface by Hückel theory and DFT calculations

Journal of Physical Chemistry A

Volumn 116, Issue 38, 2012, Pages 9568-9573

  Sun, Keju ^a,b   Kohyama, Masanori ^a   Tanaka, Shingo ^a   Takeda, Seiji ^b  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC OXYGEN; ATOMIC OXYGEN ADSORPTION; AU SURFACES; BOND ENERGIES; BOND ORDERS; CO OXIDATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; FIRST ORDER KINETICS; GOLD SURFACES; LOW-TEMPERATURE CO OXIDATION; NANO-GOLD; REACTION MECHANISM; THEORETICAL STUDY;

ATOMS; CATALYSTS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DESORPTION; GOLD; OXYGEN; REACTION INTERMEDIATES; REACTION KINETICS; TEMPERATURE;

GAS ADSORPTION;

CARBON MONOXIDE; GOLD; OXYGEN;

ARTICLE; CATALYSIS; CHEMISTRY; KINETICS; OXIDATION REDUCTION REACTION; QUANTUM THEORY; SURFACE PROPERTY; SYNTHESIS; TEMPERATURE;

CARBON MONOXIDE; CATALYSIS; GOLD; KINETICS; OXIDATION-REDUCTION; OXYGEN; QUANTUM THEORY; SURFACE PROPERTIES; TEMPERATURE;

EID: 84866866909     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp306906j     Document Type: Article

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