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Regimes of exciton transport in molecular crystals in the presence of dynamic disorder
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Aragó, Juan and Troisi, Alessandro (2016) Regimes of exciton transport in molecular crystals in the presence of dynamic disorder. Advanced Functional Materials, 26 (14). pp. 2316-2325. doi:10.1002/adfm.201503888 ISSN 1616-301X.
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Official URL: http://dx.doi.org/10.1002/adfm.201503888
Abstract
Thermal motions in molecular crystals cause substantial fluctuation of the excitonic coupling between neighboring molecules (dynamic disorder). The effect of such fluctuation on the exciton dynamics in two limiting cases is explored here, exemplified by the crystals of anthracene and a heteropentacene derivative. When the excitonic coupling is small in comparison with the electron–phonon coupling, the exciton diffusion is incoherent and the inclusion of excitonic coupling fluctuation does not alter the exciton physics but can improve the agreement between computed and experimental diffusion coefficients. For large excitonic couplings, when the transport becomes coherent, the thermal motions determine the diffusivity of the exciton, which can be several orders of magnitude larger than in the incoherent case. The coherent regime is less frequent but potentially of great technological importance.
Item Type: | Journal Article | ||||||||
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Subjects: | Q Science > QD Chemistry | ||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing |
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Library of Congress Subject Headings (LCSH): | Molecular crystals, Exciton theory | ||||||||
Journal or Publication Title: | Advanced Functional Materials | ||||||||
Publisher: | Wiley - V C H Verlag GmbH & Co. KGaA | ||||||||
ISSN: | 1616-301X | ||||||||
Official Date: | 12 April 2016 | ||||||||
Dates: |
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Volume: | 26 | ||||||||
Number: | 14 | ||||||||
Page Range: | pp. 2316-2325 | ||||||||
DOI: | 10.1002/adfm.201503888 | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||||
Date of first compliant deposit: | 29 April 2016 | ||||||||
Date of first compliant Open Access: | 9 November 2016 | ||||||||
Funder: | European Research Council (ERC), Seventh Framework Programme (European Commission) (FP7) | ||||||||
Grant number: | 615834 , FP7-PEOPLE-2012-IEF-329513 | ||||||||
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