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An expression for the bridge-mediated electron transfer rate in dye-sensitized solar cells
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Maggio, Emanuele and Troisi, Alessandro (2014) An expression for the bridge-mediated electron transfer rate in dye-sensitized solar cells. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Volume 372 (2013). Article number 20130011. doi:10.1098/rsta.2013.0011 ISSN 1364-503X.
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Official URL: http://dx.doi.org/10.1098/rsta.2013.0011
Abstract
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.
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Computer Science |
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Journal or Publication Title: | Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences | ||||
Publisher: | The Royal Society Publishing | ||||
ISSN: | 1364-503X | ||||
Official Date: | 13 April 2014 | ||||
Dates: |
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Volume: | Volume 372 | ||||
Number: | 2013 | ||||
Article Number: | Article number 20130011 | ||||
DOI: | 10.1098/rsta.2013.0011 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Description: | This is one article from the Theo Murphy Meeting Issue ‘Theo Murphy International Scientific Meeting between the UK and China on the chemistry and physics of functional materials’ compiled and edited by Henning Sirringhaus,Wenping Hu, Deqing Zhang and Anthony Cheetham |
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Embodied As: | 1 |
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