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Predicting with confidence the efficiency of new dyes in dye sensitized solar cells

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Ip, Chung Man, Eleuteri, Antonio and Troisi, Alessandro (2014) Predicting with confidence the efficiency of new dyes in dye sensitized solar cells. Physical Chemistry Chemical Physics, 16 (36). pp. 19106-19110. doi:10.1039/c4cp03124e ISSN 1463-9076.

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Official URL: http://dx.doi.org/10.1039/C4CP03124E

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Abstract

We ask whether it is possible to predict the efficiency of a new dye in dye sensitized solar cells (DSSCs) on the basis of the known performance of existing dyes in the same type of device. We evaluate a number of computable predictors of the efficiency for a large set of dyes whose experimental efficiency is known. We have then used statistical regression methods to establish the relation between the predictors and the efficiency. Our predictions are associated with a rigorously determined confidence level. For a new dye of the same family we are able to predict the probability that its efficiency in a DSSC is larger than a certain threshold. This method is useful for accelerating the discovery of new dyes and establishing more rigorously the existence of specific correlations between structure and properties. Within the properties considered we find that the dye efficiency correlates more strongly with its oxidation potential and reorganization energy.

Item Type: Journal Article
Subjects: T Technology > TK Electrical engineering. Electronics Nuclear engineering
Divisions: Faculty of Science, Engineering and Medicine > Science > Chemistry
Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing
Library of Congress Subject Headings (LCSH): Dye-sensitized solar cells
Journal or Publication Title: Physical Chemistry Chemical Physics
Publisher: Royal Society of Chemistry
ISSN: 1463-9076
Official Date: 23 July 2014
Dates:
DateEvent
23 July 2014Available
22 July 2014Accepted
16 July 2014Submitted
Volume: 16
Number: 36
Number of Pages: 5
Page Range: pp. 19106-19110
DOI: 10.1039/c4cp03124e
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Date of first compliant deposit: 31 December 2015
Date of first compliant Open Access: 31 December 2015
Funder: Engineering and Physical Sciences Research Council (EPSRC)

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