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dc.contributor.authorChen, Xiankai
dc.contributor.authorRavva, Mahesh Kumar
dc.contributor.authorLi, Hong
dc.contributor.authorRyno, Sean
dc.contributor.authorBredas, Jean-Luc
dc.date.accessioned2017-01-01T13:44:44Z
dc.date.available2017-01-01T13:44:44Z
dc.date.issued2016-09-05
dc.identifier.citationChen X-K, Ravva MK, Li H, Ryno SM, Brédas J-L (2016) Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells. Advanced Energy Materials 6: 1601325. Available: http://dx.doi.org/10.1002/aenm.201601325.
dc.identifier.issn1614-6832
dc.identifier.doi10.1002/aenm.201601325
dc.identifier.urihttp://hdl.handle.net/10754/622117
dc.description.abstractIn organic solar cells, a major source of energy loss is attributed to nonradiative recombination from the interfacial charge transfer states to the ground state. By taking pentacene–C60 complexes as model donor–acceptor systems, a comprehensive theoretical understanding of how molecular packing and charge delocalization impact these nonradiative recombination rates at donor–acceptor interfaces is provided.
dc.description.sponsorshipThis work has been supported by competitive research funding at King Abdullah University of Science and Technology (KAUST) and by ONR Global, Grant N62909-15-1-2003. The authors are most grateful to Dr. Veaceslav Coropeanu for stimulating discussions and acknowledge the KAUST IT Research Computing Team and Supercomputing Laboratory for providing continuous assistance as well as computational and storage resources.
dc.publisherWiley
dc.relation.urlhttp://onlinelibrary.wiley.com/doi/10.1002/aenm.201601325/full
dc.subjectCharge delocalization
dc.subjectCharge-transfer states
dc.subjectMolecular packing
dc.subjectNonradiative recombination
dc.subjectOrganic solar cells
dc.titleEffect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells
dc.typeArticle
dc.contributor.departmentKAUST Solar Center (KSC)
dc.contributor.departmentLaboratory for Computational and Theoretical Chemistry of Advanced Materials
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalAdvanced Energy Materials
kaust.personChen, Xiankai
kaust.personRavva, Mahesh Kumar
kaust.personLi, Hong
kaust.personRyno, Sean
kaust.personBredas, Jean-Luc
dc.date.published-online2016-09-05
dc.date.published-print2016-12


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