Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase

Journal of the American Chemical Society

Volumn 135, Issue 50, 2013, Pages 18774-18777

  Chen, Jia ^a   Li, Ye Fei ^a   Sit, Patrick ^a   Selloni, Annabella ^a  

^a PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL DYNAMICS; ELECTRON TRANSFER; EXPLICIT WATER MOLECULES; FIRST PRINCIPLES MOLECULAR DYNAMICS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HYBRID FUNCTIONAL; OXYGEN EVOLUTION REACTION; PROTON-COUPLED ELECTRON TRANSFER;

CALCULATIONS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; OXYGEN; REACTION KINETICS;

TITANIUM DIOXIDE;

TITANIUM DIOXIDE;

ARTICLE; CATALYST; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY; OXIDATION; PHOTOCHEMISTRY; PROTON TRANSPORT;

EID: 84890627197     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja410685m     Document Type: Article

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