Direct simulation evidence of generation of oxygen vacancies at the golden cage au16 and TiO2 (110) interface for co oxidation

Journal of the American Chemical Society

Volumn 136, Issue 45, 2014, Pages 15857-15860

  Li, Lei ^a   Zeng, Xiao Cheng ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; OXIDATION; OXYGEN; TITANIUM DIOXIDE;

BORN-OPPENHEIMER MOLECULAR DYNAMICS; COMPARATIVE STUDIES; DIRECT SIMULATION; FLUXIONALITY; LANGMUIR-HINSHELWOOD; LATTICE OXYGEN ATOMS; MARS-VAN KREVELEN; STRUCTURAL ROBUSTNESS;

OXYGEN VACANCIES;

GOLD; OXYGEN; TITANIUM DIOXIDE;

ARTICLE; COMPARATIVE STUDY; FEASIBILITY STUDY; MOLECULAR DYNAMICS; OXIDATION; SIMULATION; SURFACE PROPERTY;

EID: 84909991724     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja508666a     Document Type: Article

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