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Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering
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Lukman, Steven, Cheng, Kai, Hodgkiss, Justin M., Turban, David H. P., Hine, Nicholas, Dong, Shaoqiang, Wu, Jishan, Greenham, Neil C. and Musser, Andrew J. (2016) Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering. Nature Communications, 7 . 13622. doi:10.1038/ncomms13622 ISSN 2041-1723.
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Official URL: http://dx.doi.org/10.1038/ncomms13622
Abstract
Understanding the mechanism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet excitons, is crucial to the development of new chromophores for efficient fission-sensitized solar cells. The challenge of controlling molecular packing and energy levels in the solid state precludes clear determination of the singlet fission pathway. Here, we circumvent this difficulty by utilizing covalent dimers of pentacene with two types of side groups. We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a virtual charge-transfer state and in the other via a distinct charge-transfer intermediate. The singlet fission pathway is governed by the energy gap between singlet and charge-transfer states, which change dynamically with molecular geometry but are primarily set by the side group. These results clearly establish the role of charge-transfer states in singlet fission and highlight the importance of solubilizing groups to optimize excited-state photophysics.
Item Type: | Journal Article | ||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||
Library of Congress Subject Headings (LCSH): | Photovoltaic cells, Organic semiconductors | ||||||||
Journal or Publication Title: | Nature Communications | ||||||||
Publisher: | Nature Publishing Group | ||||||||
ISSN: | 2041-1723 | ||||||||
Official Date: | 7 December 2016 | ||||||||
Dates: |
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Volume: | 7 | ||||||||
Article Number: | 13622 | ||||||||
DOI: | 10.1038/ncomms13622 | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||
Date of first compliant deposit: | 8 December 2016 | ||||||||
Date of first compliant Open Access: | 12 December 2016 | ||||||||
Funder: | Engineering and Physical Sciences Research Council (EPSRC) | ||||||||
Grant number: | EP/M005143/1 and EP/G060738/1 |
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