Quantum mechanical modeling of CO 2 interactions with irradiated stoichiometric and oxygen-deficient anatase TiO 2 surfaces: Implications for the photocatalytic reduction of CO 2

Energy and Fuels

Volumn 23, Issue 10, 2009, Pages 5247-5256

  Indrakanti, Venkata Pradeep ^a   Schobert, Harold H ^a   Kubicki, James D ^b  

^a Mineral Engineering ^*  (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ACTIVE SITE; ANATASE SURFACES; ANATASE TIO; CONDUCTION BAND ELECTRONS; HARTREE-FOCK CALCULATIONS; LIGHT ENERGY; MODEL SURFACE; PHOTO-REDUCTION; PHOTOCATALYTIC REDUCTION; QUANTUM-MECHANICAL MODELING; TIO;

ELECTRON MOBILITY; FOSSIL FUELS; OXYGEN; OXYGEN VACANCIES; PHOTOCATALYSIS; QUANTUM THEORY; TITANIUM DIOXIDE; TITANIUM OXIDES; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 70350440735     PISSN: 08870624     EISSN: None     Source Type: Journal    
DOI: 10.1021/ef9003957     Document Type: Article

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