Charge Transfer and Aggregation Effects on the Performance of Planar vs Twisted Nonfullerene Acceptor Isomers for Organic Solar Cells

Carlotti, Benedetta; Cai, Zhengxu; Kim, Hyungjun; Sharapov, Valerii; Madu, Ifeanyi Kizito; Zhao, Donglin; Chen, Wei; Zimmerman, Paul M.; Yu, Luping; Goodson, Theodore

doi:10.1021/acs.chemmater.8b01047

Charge Transfer and Aggregation Effects on the Performance of Planar vs Twisted Nonfullerene Acceptor Isomers for Organic Solar Cells

Journal Article · Tue Jun 12 00:00:00 EDT 2018 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.8b01047· OSTI ID:1466293

^[1]; ^[2]; ^[3]; ^[2]; Madu, Ifeanyi Kizito ^[3]; Zhao, Donglin ^[2]; ^[4]; ^[3]; Yu, Luping ^[2]; ^[3]

Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Chemistry; Univ. of Perugia (Italy). Dept. of Chemistry, Biology, and Biotechnology
Univ. of Chicago, IL (United States). Dept. of Chemistry. The James Franck Inst.
Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Chemistry
Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Univ. of Chicago, IL (United States). Inst. for Molecular Engineering

In this paper, newly synthesized perylene diimide dimers were investigated as nonfullerene electron acceptors for organic solar cells. In particular, two analogous positional isomers exhibiting twisted vs planar geometries were prepared to make a direct comparison of their optical and electronic properties. These properties were investigated to provide information regarding the impact of the nonfullerene acceptor geometry on the ultimate photovoltaic performance. The two isomers exhibited strikingly different optical and photophysical properties in solution as well as in film. The ultrafast spectroscopic investigation in solution revealed the occurrence of charge transfer upon photoexcitation, which takes place more efficiently in the planar isomer. This is also supported by theoretical simulations. Finally, the planar conformation exhibits higher aggregation in the neat film as well as in the blend. However, our results suggest that the dominance of intramolecular charge transfer in the planar isomer is the crucial factor in determining the improved power conversion efficiency of organic solar cells.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Light Energy Activated Redox Processes (LEAP); Univ. of Chicago, IL (United States); Univ. of Michigan, Ann Arbor, MI (United States); Univ. of Perugia (Italy)

Sponsoring Organization:: Ministry of Education, Universities and Research (MIUR) (Italy); National Inst. of Standards and Technology (NIST) (United States); National Science Foundation (NSF) (United States); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357; SC0001059; SC0012482

OSTI ID:: 1466293

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 13 Vol. 30; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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