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dc.contributor.authorLee, CheeKong
dc.contributor.authorWillard, Adam P.
dc.date.accessioned2020-05-26T17:19:29Z
dc.date.available2020-05-26T17:19:29Z
dc.date.issued2018-12
dc.identifier.issn1932-7447
dc.identifier.urihttps://hdl.handle.net/1721.1/125453
dc.description.abstractIn this paper, we investigate the role of correlated molecular disorder on the dynamics of excitons in oligothiophene-based organic semiconductors. We simulate exciton dynamics using the Frenkel exciton model and derive parameters for this model so that they reflect the specific characteristics of all-atom molecular systems. By systematically modifying the parameters of the Frenkel exciton model, we isolate the influence of spatial and temporal molecular correlations on the dynamics of excitons in these systems. For the oligothiophene systems considered here, we find that the molecular fluctuations exhibit long-lived memory effects, but these effects do not significantly influence the dynamic properties of excitons. We also find that excitons can be sensitive to the molecular-scale spatial correlations, and that this sensitivity grows with the amount of energetic disorder within the material. We conclude that control over spatial correlations can mitigate the negative influence of disorder on exciton transport.en_US
dc.description.sponsorshipUnited States. Department of Energy. Office of Science User Facility (Contract DE-AC02-05CH11231)en_US
dc.description.sponsorshipUnited States. Department of Energy. Basic Energy Science (Award DE-SC0001088)en_US
dc.language.isoen
dc.publisherAmerican Chemical Society (ACS)en_US
dc.relation.isversionofhttps://dx.doi.org/10.1021/ACS.JPCC.8B11504en_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.sourceOther repositoryen_US
dc.titleModeling the Influence of Correlated Molecular Disorder on the Dynamics of Excitons in Organic Molecular Semiconductorsen_US
dc.typeArticleen_US
dc.identifier.citationLee, Chee Kong, Liang Shi, and Adam P. Willard. “Modeling the Influence of Correlated Molecular Disorder on the Dynamics of Excitons in Organic Molecular Semiconductors.” Journal of physical chemistry. C 123 (2019): 306-314.en_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Chemistryen_US
dc.relation.journalJournal of physical chemistry. Cen_US
dc.eprint.versionOriginal manuscripten_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/NonPeerRevieweden_US
dc.date.updated2020-01-14T15:34:01Z
dspace.date.submission2020-01-14T15:34:03Z
mit.journal.volume123en_US
mit.journal.issue1en_US
mit.metadata.statusComplete


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