Combination of Charge Delocalization and Disorder Enables Efficient Charge Separation at Photoexcited Organic Bilayers

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dc.citation.issue19
dc.citation.rankM21
dc.citation.spage10343
dc.citation.volume122
dc.contributor.authorJanković, Veljko
dc.contributor.authorVukmirović, Nenad
dc.date.accessioned2024-07-03T07:37:44Z
dc.date.available2024-07-03T07:37:44Z
dc.date.issued2018-04-19
dc.description.abstractWe study incoherent charge separation in a lattice model of an all-organic bilayer. Charge delocalization is taken into account by working in the basis of electron-hole pair eigenstates, and the separation is described as a series of incoherent hops between these states. We find that relatively weak energetic disorder, in combination with good charge delocalization, can account for efficient and weakly field- and temperature-dependent separation of the strongly bound charge transfer (CT) state. The separation efficiency is determined by the competition between the recombination from the initial CT state and the escape toward intermediate CT states, from which free-charge states can be reached with certainty. The separation of donor excitons also exhibits quite high yields, less bound excitons separating more efficiently. Overall, our results support the notion that efficient charge separation can be achieved even out of strongly bound pair states without invoking coherent effects.
dc.identifier.doi10.1021/acs.jpcc.8b03114
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.scopus2-s2.0-85046495403
dc.identifier.urihttps://pub.ipb.ac.rs/handle/123456789/171
dc.identifier.wos000432753700007
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.relation.ispartofThe Journal of Physical Chemistry C
dc.relation.ispartofabbrJ. Phys. Chem. C
dc.rightsrestrictedAccess
dc.titleCombination of Charge Delocalization and Disorder Enables Efficient Charge Separation at Photoexcited Organic Bilayers
dc.typeArticle
dc.type.versionpublishedVersion
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