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An expression for the bridge-mediated electron transfer rate in dye-sensitized solar cells
Author(s) -
Emanuele Maggio,
Alessandro Troisi
Publication year - 2014
Publication title -
philosophical transactions of the royal society a mathematical physical and engineering sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.074
H-Index - 169
eISSN - 1471-2962
pISSN - 1364-503X
DOI - 10.1098/rsta.2013.0011
Subject(s) - semiconductor , electron transfer , bridge (graph theory) , electron , materials science , redox , density functional theory , chemical physics , chemistry , optoelectronics , nanotechnology , photochemistry , physics , computational chemistry , quantum mechanics , biology , metallurgy , anatomy
We have derived an expression for the rate of electron transfer between a semiconductor and a redox centre connected to the semiconductor via a molecular bridge. This model is particularly useful to study the charge recombination (CR) process in dye-sensitized solar cells, where the dye is often connected to the semiconductor by a conjugated bridge. This formalism, designed to be coupled with density functional theory electronic structure calculations, can be used to explore the effect of changing the bridge on the rate of interfacial electron transfer. As an example, we have evaluated the CR rate for a series of systems that differ in the bridge length.

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