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Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells

Sebastian Pont, Silvio Osella, Alastair Smith, Adam V. Marsh, Zhe Li, David Beljonne, João T. Cabral, James Durrant Orcid Logo

Chemistry of Materials

Swansea University Author: James Durrant Orcid Logo

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DOI (Published version): 10.1021/acs.chemmater.8b05194

Abstract

In polymer/fullerene organic solar cells, the photochemical dimerization of phenyl-C61-butyric acid methyl ester (PCBM) was reported to have either a beneficial or a detrimental effect on device performance and stability. In this work, we investigate the behavior of such dimers by measuring the temp...

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Published in: Chemistry of Materials
ISSN: 0897-4756 1520-5002
Published: 2019
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URI: https://cronfa.swan.ac.uk/Record/cronfa50880
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first_indexed 2019-06-19T14:55:11Z
last_indexed 2019-06-19T14:55:11Z
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spelling 2019-06-19T11:38:05.3752288 v2 50880 2019-06-19 Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells f3dd64bc260e5c07adfa916c27dbd58a 0000-0001-8353-7345 James Durrant James Durrant true false 2019-06-19 MTLS In polymer/fullerene organic solar cells, the photochemical dimerization of phenyl-C61-butyric acid methyl ester (PCBM) was reported to have either a beneficial or a detrimental effect on device performance and stability. In this work, we investigate the behavior of such dimers by measuring the temperature dependence of the kinetics of PCBM de-dimerization as a function of prior light intensity and duration. Our data reveal the presence of both “weakly” and “strongly” bound dimers, with higher light intensities preferentially generating the latter. DFT simulations corroborate our experimental findings and suggest a distribution of dimer binding energies, correlated with the orientation of the fullerene tail with respect to the dimer bonds on the cage. These results provide a framework to rationalize the double-edged effects of PCBM dimerization on the stability of organic solar cells. Journal Article Chemistry of Materials 0897-4756 1520-5002 31 12 2019 2019-12-31 10.1021/acs.chemmater.8b05194 COLLEGE NANME Materials Science and Engineering COLLEGE CODE MTLS Swansea University 2019-06-19T11:38:05.3752288 2019-06-19T11:35:29.1578608 Faculty of Science and Engineering School of Engineering and Applied Sciences - Materials Science and Engineering Sebastian Pont 1 Silvio Osella 2 Alastair Smith 3 Adam V. Marsh 4 Zhe Li 5 David Beljonne 6 João T. Cabral 7 James Durrant 0000-0001-8353-7345 8 0050880-19062019113748.pdf pont2019.pdf 2019-06-19T11:37:48.0370000 Output 8545544 application/pdf Accepted Manuscript true 2020-05-03T00:00:00.0000000 false eng
title Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells
spellingShingle Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells
James Durrant
title_short Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells
title_full Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells
title_fullStr Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells
title_full_unstemmed Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells
title_sort Evidence for Strong and Weak Phenyl-C61-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells
author_id_str_mv f3dd64bc260e5c07adfa916c27dbd58a
author_id_fullname_str_mv f3dd64bc260e5c07adfa916c27dbd58a_***_James Durrant
author James Durrant
author2 Sebastian Pont
Silvio Osella
Alastair Smith
Adam V. Marsh
Zhe Li
David Beljonne
João T. Cabral
James Durrant
format Journal article
container_title Chemistry of Materials
publishDate 2019
institution Swansea University
issn 0897-4756
1520-5002
doi_str_mv 10.1021/acs.chemmater.8b05194
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Materials Science and Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Materials Science and Engineering
document_store_str 1
active_str 0
description In polymer/fullerene organic solar cells, the photochemical dimerization of phenyl-C61-butyric acid methyl ester (PCBM) was reported to have either a beneficial or a detrimental effect on device performance and stability. In this work, we investigate the behavior of such dimers by measuring the temperature dependence of the kinetics of PCBM de-dimerization as a function of prior light intensity and duration. Our data reveal the presence of both “weakly” and “strongly” bound dimers, with higher light intensities preferentially generating the latter. DFT simulations corroborate our experimental findings and suggest a distribution of dimer binding energies, correlated with the orientation of the fullerene tail with respect to the dimer bonds on the cage. These results provide a framework to rationalize the double-edged effects of PCBM dimerization on the stability of organic solar cells.
published_date 2019-12-31T04:02:33Z
_version_ 1763753227134697472
score 11.016235

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