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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
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Official URL: http://dx.doi.org/10.1039/C4CP03124E
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 | ||||||||
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| Subjects: | T Technology > TK Electrical engineering. Electronics Nuclear engineering | ||||||||
| Divisions: | Faculty of Science > Chemistry Faculty of Science > Centre for Scientific Computing |
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| 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: |
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| Date of first compliant deposit: | 31 December 2015 | ||||||||
| 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 | ||||||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC) |
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