Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells

Xiankai Chen, Mahesh Kumar Ravva, Hong Li, Sean Ryno, Jean-Luc Bredas

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Abstract

In 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.
Original languageEnglish (US)
Pages (from-to)1601325
JournalAdvanced Energy Materials
Volume6
Issue number24
DOIs
StatePublished - Sep 5 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This 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.

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