Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency

Niva A. Ran, Steffen Roland, John A. Love, Victoria Savikhin, Christopher J. Takacs, Yao-Tsung Fu, Hong Li, Veaceslav Coropceanu, Xiaofeng Liu, Jean-Luc Brédas, Guillermo C. Bazan, Michael F. Toney, Dieter Neher and Thuc-Quyen Nguyen ()
Additional contact information
Niva A. Ran: University of California
Steffen Roland: University of Potsdam
John A. Love: University of California
Victoria Savikhin: SLAC National Accelerator Laboratory
Christopher J. Takacs: University of California
Yao-Tsung Fu: Georgia Institute of Technology
Hong Li: Georgia Institute of Technology
Veaceslav Coropceanu: Georgia Institute of Technology
Xiaofeng Liu: University of California
Jean-Luc Brédas: Georgia Institute of Technology
Guillermo C. Bazan: University of California
Michael F. Toney: SLAC National Accelerator Laboratory
Dieter Neher: University of Potsdam
Thuc-Quyen Nguyen: University of California

Nature Communications, 2017, vol. 8, issue 1, 1-9

Abstract: Abstract A long standing question in organic electronics concerns the effects of molecular orientation at donor/acceptor heterojunctions. Given a well-controlled donor/acceptor bilayer system, we uncover the genuine effects of molecular orientation on charge generation and recombination. These effects are studied through the point of view of photovoltaics—however, the results have important implications on the operation of all optoelectronic devices with donor/acceptor interfaces, such as light emitting diodes and photodetectors. Our findings can be summarized by two points. First, devices with donor molecules face-on to the acceptor interface have a higher charge transfer state energy and less non-radiative recombination, resulting in larger open-circuit voltages and higher radiative efficiencies. Second, devices with donor molecules edge-on to the acceptor interface are more efficient at charge generation, attributed to smaller electronic coupling between the charge transfer states and the ground state, and lower activation energy for charge generation.

Date: 2017
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Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:8:y:2017:i:1:d:10.1038_s41467-017-00107-4

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DOI: 10.1038/s41467-017-00107-4

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