Quantum efficiency of the photo-induced electronic transfer in dye–TiO2 complexes

We present a method based on a time-dependent self-consistent density functional tight-binding (TD-DFTB) approach, able to predict the quantum efficiency of the photoinjection process in a dye–TiO2 complex from a fully atomistic picture. We studied the process of charge transfer of three systems wit...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2018, Vol.20 (41), p.26280-26287
Hauptverfasser:	Marquez, Dalma M, Sánchez, Cristián G
Format:	Artikel
Sprache:	eng
Schlagworte:	Alizarin Broadband Catechol Charge efficiency Charge transfer Dyes Efficiency Electron transfer Nanoparticles Perturbation Photovoltaic cells Quantum efficiency Solar cells Time dependence Titanium dioxide
Online-Zugang:	Volltext
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