A theoretical investigation on photocatalytic oxidation on the TiO 2 surface

Journal of Chemical Physics

Volumn 136, Issue 2, 2012, Pages

  Suzuki, Satoshi ^a   Tsuneda, Takao ^b,c   Hirao, Kimihiko ^b,c  

^a UNIVERSITY OF TOKYO   (Japan)

^b RIKEN   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANATASE TIO; CLUSTER MODELS; DIRECT CHARGE; ELECTRONIC SPECTRUM; HETEROGENEOUS TIO; METHANE ADSORPTION; METHANE MOLECULES; NEW MECHANISMS; ORGANIC MOLECULES; OXYGEN DEFECT; PHOTO-EXCITATIONS; PHOTOCATALYTIC OXIDATIONS; THEORETICAL INVESTIGATIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIO;

ADSORPTION; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; METHANE; METHANOL; MOLECULES; OXIDATION; PHENOLS; PHOTOEXCITATION; SURFACE DEFECTS;

TITANIUM DIOXIDE;

TITANIUM; TITANIUM DIOXIDE;

ARTICLE; CATALYSIS; CHEMISTRY; OXIDATION REDUCTION REACTION; PHOTOCHEMISTRY; QUANTUM THEORY; SURFACE PROPERTY; TIME;

CATALYSIS; OXIDATION-REDUCTION; PHOTOCHEMICAL PROCESSES; QUANTUM THEORY; SURFACE PROPERTIES; TIME FACTORS; TITANIUM;

EID: 84855937999     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3676261     Document Type: Article

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