Modeling and Simulation of Photocatalytic Reactions at TiO2 Surfaces

On Solar Hydrogen & Nanotechnology

Volumn , Issue , 2010, Pages 37-75

  Kamisaka, Hideyuki ^a   Yamashita, Koichi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Ab initio MD; Adsorbed water; C doped TiO2; Chemical bond; Chemical reaction; Decoherence; Density functional thoery; DFT; DFT functional; Doping; DSSC; Dye sensitized solar cell; Embedding; First principle method; Hideyuki Kamisaka and Koichi Yamashita; Keyword for "Modeling and Simulation of Photocatalytic Reactions"; Local excited states; MEG; Molecular Mechanics; Multi exciton generation; Nb doped TiO2; Nonadiabatic process; Open system; Oxygen vacancy; PbSe; Photo induced hydrophilicity; Photocatalysis; QD; QM MM; Quantum dot; Reactive intermediate; Semi infinite; Solar cell; Surface hydroxyl group; Surface stress; TCO; TiO2; TNO; Transparent conductive oxide; Visible light activity

Indexed keywords

EID: 84885973706     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9780470823996.ch2     Document Type: Chapter

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