Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO<sub>2</sub> in Dye-Sensitized Solar Cell Models

De Angelis, Filippo; Fantacci, Simona; Mosconi, Edoardo; Khaja Nazeeruddin, Mohammad; Grätzel, Michaël

doi:10.1021/jp111949a

Public

Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models

Published in The Journal of Physical Chemistry C • Apr 8, 2011

Authors:

Filippo De Angelis

Simona Fantacci

Edoardo Mosconi

Abstract

We have investigated the absorption spectrum and the alignment of ground and excited state energies for the prototypical N719 Ru(II) sensitizer adsorbed on an extended TiO 2 model by means of high level DFT/TDDFT calculations. The calculated and experimental absorption spectra for the dye on TiO 2 a...

Subject

Excited state

Absorption spectroscopy

Time-dependent density functional theory

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