What Makes the Photocatalytic CO2 Reduction on N-Doped Ta2O5 Efficient: Insights from Nonadiabatic Molecular Dynamics

Journal of the American Chemical Society

Volumn 137, Issue 35, 2015, Pages 11517-11525

  Akimov, Alexey V ^a   Asahi, Ryoji ^b   Jinnouchi, Ryosuke ^b   Prezhdo, Oleg V ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b Rd Management Section   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; DOPING (ADDITIVES); ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; QUANTUM THEORY; RUTHENIUM COMPOUNDS; TANTALUM OXIDES;

ATOMISTIC ANALYSIS; ELECTRON TRANSFER DYNAMICS; HIGHER FREQUENCIES; NON-ADIABATIC COUPLING; NONADIABATIC MOLECULAR DYNAMICS; OVERALL EFFICIENCY; PHOTOCATALYTIC SYSTEMS; QUANTUM COHERENCE;

CHLORINE COMPOUNDS;

CARBON DIOXIDE; TANTALUM;

ARTICLE; ATOM; CHEMICAL BOND; DECOMPOSITION; ELECTRON TRANSPORT; EXPERIMENTAL STUDY; FREQUENCY; MOLECULAR DYNAMICS; PHOTOCATALYSIS; PREDICTION; QUANTUM MECHANICS; REDUCTION; TURNOVER NUMBER;

EID: 84941243783     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.5b07454     Document Type: Article

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