Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation
Articolo
Data di Pubblicazione:
2010
Abstract:
We report a DFT/TDDFT computational investigation on dye-sensitized
solar cells sensitized by two prototype perylene dyes. These widely
investigated systems represent valuable models of dyes in which the
different dye anchoring group gives rise to distinctively different
time-resolved spectroscopic properties. By performing extensive TDDFT
calculations on the dyes adsorbed onto a TiO2 nanoparticle model, we
provide clear insight into the different excited state pattern
exhibited by the two dyes, which therefore involve a different electron
injection mechanism. The implications of such observation for
dye-sensitized solar cells performance are also discussed.
solar cells sensitized by two prototype perylene dyes. These widely
investigated systems represent valuable models of dyes in which the
different dye anchoring group gives rise to distinctively different
time-resolved spectroscopic properties. By performing extensive TDDFT
calculations on the dyes adsorbed onto a TiO2 nanoparticle model, we
provide clear insight into the different excited state pattern
exhibited by the two dyes, which therefore involve a different electron
injection mechanism. The implications of such observation for
dye-sensitized solar cells performance are also discussed.
Tipologia CRIS:
01.01 Articolo in rivista
Elenco autori:
DE ANGELIS, Filippo
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