Spin density encodes intramolecular singlet exciton fission in pentacene dimers

buir.contributor.authorSalzner, Ulrike
dc.citation.epage33-1en_US
dc.citation.spage33-8en_US
dc.citation.volumeNumber10en_US
dc.contributor.authorKrishnapriya, K. C.en_US
dc.contributor.authorRoy, P.en_US
dc.contributor.authorPuttaraju, B.en_US
dc.contributor.authorSalzner, Ulrikeen_US
dc.contributor.authorMusser, A. J.en_US
dc.contributor.authorJain, M.en_US
dc.contributor.authorDasgupta, J.en_US
dc.contributor.authorPatil, S.en_US
dc.date.accessioned2020-02-10T12:30:33Z
dc.date.available2020-02-10T12:30:33Z
dc.date.issued2019
dc.departmentDepartment of Chemistryen_US
dc.description.abstractThe formation of two triplet excitons at the cost of one photon via singlet exciton fission in organic semiconductors can potentially enhance the photocurrent in photovoltaic devices. However, the role of spin density distribution in driving this photophysical process has been unclear until now. Here we present the significance of electronic spin density distribution in facilitating efficient intramolecular singlet exciton fission (iSEF) in π-bridged pentacene dimers. We synthetically modulate the spin density distribution in a series of pentacene dimers using phenyl-, thienyl- and selenyl- flanked diketopyrrolopyrrole (DPP) derivatives as π-bridges. Using femtosecond transient absorption spectroscopy, we find that efficient iSEF is only observed for the phenyl-derivative in ~2.4 ps while absent in the other two dimers. Electronic structure calculations reveal that phenyl-DPP bridge localizes α- and β-spin densities on distinct terminal pentacenes. Upon photoexcitation, a spin exchange mechanism enables iSEF from a singlet state which has an innate triplet pair character.en_US
dc.description.provenanceSubmitted by Evrim Ergin (eergin@bilkent.edu.tr) on 2020-02-10T12:30:33Z No. of bitstreams: 1 Spin density encodes intramolecular singlet exciton fission in pentacene dimers.pdf: 1557946 bytes, checksum: f7c5763e328c2c479898946699103c08 (MD5)en
dc.description.provenanceMade available in DSpace on 2020-02-10T12:30:33Z (GMT). No. of bitstreams: 1 Spin density encodes intramolecular singlet exciton fission in pentacene dimers.pdf: 1557946 bytes, checksum: f7c5763e328c2c479898946699103c08 (MD5) Previous issue date: 2019en
dc.identifier.doi10.1038/s41467-018-07736-3en_US
dc.identifier.eissn2041-1723
dc.identifier.urihttp://hdl.handle.net/11693/53233
dc.language.isoEnglishen_US
dc.publisherNature Publishing Groupen_US
dc.relation.isversionofhttps://dx.doi.org/10.1038/s41467-018-07736-3en_US
dc.source.titleNature Communicationsen_US
dc.subjectChemistryen_US
dc.subjectEnergy science and technologyen_US
dc.titleSpin density encodes intramolecular singlet exciton fission in pentacene dimersen_US
dc.typeArticleen_US

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