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2015-05-18Zeitschriftenartikel DOI: 10.18452/13641
Probing the energy levels in hole-doped molecular semiconductors
dc.contributor.authorWinkler, Stefanie
dc.contributor.authorAmsalem, Patrick
dc.contributor.authorFrisch, Johannes
dc.contributor.authorOehzelt, Martin
dc.contributor.authorHeimel, Georg
dc.contributor.authorKoch, Norbert
dc.date.accessioned2017-06-17T16:04:08Z
dc.date.available2017-06-17T16:04:08Z
dc.date.created2015-08-14
dc.date.issued2015-05-18
dc.date.submitted2015-02-23
dc.identifier.issn2051-6347
dc.identifier.urihttp://edoc.hu-berlin.de/18452/14293
dc.descriptionAvailable open access thanks to the RSC Gold for Gold initiative. Shared according to the terms set out in the CC licence.
dc.description.abstractUnderstanding the nature of polarons – the fundamental charge carriers in molecular semiconductors – is indispensable for rational material design that targets superior (opto-) electronic device functionality. The traditionally conceived picture of the corresponding energy levels invokes singly occupied molecular states within the energy gap of the semiconductor. Here, by employing a combined theoretical and multi-technique experimental approach, we show that this picture needs to be revised. Upon introducing an excess electron or hole into the material, the respective frontier molecular level is split by strong on-site Coulomb repulsion into an upper unoccupied and a lower occupied sub-level, only one of which is located within the semiconductor gap. By including also inter-site Coulomb interaction between molecular ions and circumjacent neutral molecules, we provide a complete picture for the electronic structure of molecular semiconductors in the presence of excess charges. With this understanding, a critical re-examination of previous results is called for, and future investigations of the properties and dynamics of polarons in weakly interacting molecular systems are put on sound footing.eng
dc.language.isoeng
dc.publisherHumboldt-Universität zu Berlin
dc.rights(CC BY 3.0) Namensnennung 3.0 Unported
dc.rights.urihttps://creativecommons.org/licenses/by/3.0/
dc.subject.ddc540 Chemie und zugeordnete Wissenschaften
dc.titleProbing the energy levels in hole-doped molecular semiconductors
dc.typearticle
dc.identifier.urnurn:nbn:de:kobv:11-100231717
dc.identifier.doihttp://dx.doi.org/10.18452/13641
local.edoc.type-nameZeitschriftenartikel
local.edoc.container-typeperiodical
local.edoc.container-type-nameZeitschrift
local.edoc.container-year2015
dc.description.versionPeer Reviewed
dcterms.bibliographicCitation.doi10.1039/c5mh00023h
dcterms.bibliographicCitation.journaltitleMaterials Horizons
dcterms.bibliographicCitation.volume2
dcterms.bibliographicCitation.issue4
dcterms.bibliographicCitation.originalpublishernameThe Royal Society of Chemistry
dcterms.bibliographicCitation.pagestart427
dcterms.bibliographicCitation.pageend433
bua.departmentInstitut für Physik

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