Rapid Dye Regeneration Mechanism of Dye-Sensitized Solar Cells.
J Phys Chem Lett
; 5(24): 4285-90, 2014 Dec 18.
Article
em En
| MEDLINE
| ID: mdl-26273975
ABSTRACT
During the light-harvesting process of dye-sensitized solar cells (DSSCs), the hole localized on the dye after the charge separation yields an oxidized dye, D(+). The fast regeneration of D(+) using the redox pair (typically the I(-)/I3(-) couple) is critical for the efficient DSSCs. However, the kinetic processes of dye regeneration remain uncertain, still promoting vigorous debates. Here, we use molecular dynamics simulations to determine that the inner-sphere electron-transfer pathway provides a rapid dye regeneration route of â¼4 ps, where penetration of I(-) next to D(+) enables an immediate electron transfer, forming a kinetic barrier. This explains the recently reported ultrafast dye regeneration rate of a few picoseconds determined experimentally. We expect that our MD based comprehensive understanding of the dye regeneration mechanism will provide a helpful guideline in designing TiO2-dye-electrolyte interfacial systems for better performing DSSCs.
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MEDLINE
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En
Ano de publicação:
2014
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Article