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

doi:10.1002/aenm.201601325

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

Research output: Contribution to journal › Article › peer-review

116 Scopus citations

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 language	English (US)
Pages (from-to)	1601325
Journal	Advanced Energy Materials
Volume	6
Issue number	24
DOIs	https://doi.org/10.1002/aenm.201601325
State	Published - 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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10.1002/aenm.201601325

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

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.",

author = "Xiankai Chen and Ravva, {Mahesh Kumar} and Hong Li and Sean Ryno and Jean-Luc Bredas",

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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doi = "10.1002/aenm.201601325",

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T1 - Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells

AU - Chen, Xiankai

AU - Ravva, Mahesh Kumar

AU - Li, Hong

AU - Ryno, Sean

AU - Bredas, Jean-Luc

N1 - 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.

PY - 2016/9/5

Y1 - 2016/9/5

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/622117

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DO - 10.1002/aenm.201601325

M3 - Article

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JO - Advanced Energy Materials

JF - Advanced Energy Materials

IS - 24

ER -

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

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