Evaluating Charge Recombination Rate in Dye-Sensitized Solar Cells from Electronic Structure Calculations

The process of electron recombination from semiconductor (TiO2) particles to oxidized dyes in dye-sensitized solar cells is investigated theoretically. The recombination rate is evaluated using nonadiabatic electron transfer theory with system parameters computed using ab initio density functional t...

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Veröffentlicht in:	Journal of physical chemistry. C 2012-04, Vol.116 (14), p.7638-7649
Hauptverfasser:	Maggio, E, Martsinovich, N, Troisi, A
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Electron states Energy Equations of state, phase equilibria, and phase transitions Exact sciences and technology General studies of phase transitions Methods of electronic structure calculations Natural energy Order-disorder and statistical mechanics of model systems Photovoltaic conversion Physics Solar cells. Photoelectrochemical cells Solar energy Solid surfaces and solid-solid interfaces Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties)
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