Development of multiscale simulator for dye-sensitized TiO2 nanoporous electrode based on quantum chemical calculation

Japanese Journal of Applied Physics

Volumn 47, Issue 4 PART 2, 2008, Pages 3010-3014

  Ogiya, Kei ^a   Lv, Chen ^a   Suzuki, Ai ^a   Sahnoun, Riadh ^a   Koyama, Michihisa ^a   Tsuboi, Hideyuki ^a   Hatakeyama, Nozomu ^a   Endou, Akira ^a   Takaba, Hiromitsu ^a   Kubo, Momoji ^a   Del Carpio, Carlos A ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Dye sensitized solar cells; Multiscale simulation; Tight binding quantum chemical molecular dynamics; TiO2 photoelectrode

Indexed keywords

ABSORPTION; CHEMICAL PROPERTIES; ELECTRODES; ELECTROLYSIS; MATERIALS PROPERTIES; MOLECULAR DYNAMICS; PHYSICAL CHEMISTRY; QUANTUM CHEMISTRY; SIMULATORS; SOLAR CELLS; SOLAR ENERGY; THREE DIMENSIONAL;

DIFFUSION COEFFICIENTS; DYE-SENSITIZED SOLAR CELLS; ELECTRODE SYSTEMS; EXCITED CARRIERS; MACROSCOPIC; MESOSCOPIC STRUCTURES; MULTISCALE; MULTISCALE SIMULATION; NANOPOROUS ELECTRODES; POROUS ELECTRODES; POROUS STRUCTURES; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL MOLECULAR DYNAMICS; QUANTUM CHEMISTRY CALCULATIONS; TIGHT-BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS; TIO2 PHOTOELECTRODE;

DYNAMICS;

EID: 54249089385     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.47.3010     Document Type: Article

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