Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells
KAUST DepartmentKAUST Solar Center (KSC)
Laboratory for Computational and Theoretical Chemistry of Advanced Materials
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-09-05
Print Publication Date2016-12
Permanent link to this recordhttp://hdl.handle.net/10754/622117
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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.
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.
SponsorsThis 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.
JournalAdvanced Energy Materials