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Time-dependent density functional theory study of squaraine dye-sensitized solar cells

Rocca, D.
•
Gebauer, R.
•
De Angelis, F.
altro
Baroni, S.
2009
  • journal article

Periodico
CHEMICAL PHYSICS LETTERS
Abstract
We employ time-dependent density functional theory to study the optical properties of a squaraine sensitized TiO(2) system, as a model for the corresponding dye-sensitized solar cell. The all-organic squaraine dye is particularly promising for light absorption in the red spectral region. We compute the photoabsorption spectrum of a periodic TiO(2) slab exposing anatase (101) surfaces, both for the clean slab and for the surface covered by the squaraine dye. Those spectra are compared to recent experimental data. The main absorption peaks are analyzed, concluding that both direct and indirect charge injection mechanisms are active in this system.
DOI
10.1016/j.cplett.2009.05.019
WOS
WOS:000266673600010
Archivio
http://hdl.handle.net/20.500.11767/16150
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-66349135886
https://www.sciencedirect.com/science/article/abs/pii/S0009261409005624?via%3Dihub
Diritti
closed access
Soggetti
  • Settore FIS/03 - Fisi...

Web of Science© citazioni
77
Data di acquisizione
Mar 23, 2024
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