Non-fullerene acceptors with branched side chains and improved molecular packing to exceed 18% efficiency in organic solar cells

Chao Li, Jiadong Zhou, Jiali Song, Jinqiu Xu, Huotian Zhang, Xuning Zhang, Jing Guo, Lei Zhu, Donghui Wei, Guangchao Han, Jie Min, Yuan Zhang, Zengqi Xie, Yuanping Yi, He Yan, Feng Gao, Feng Liu () and Yanming Sun ()
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Chao Li: Beihang University
Jiadong Zhou: South China University of Technology
Jiali Song: Beihang University
Jinqiu Xu: Shanghai Jiao Tong University
Huotian Zhang: Linköping University
Xuning Zhang: Beihang University
Jing Guo: Wuhan University
Lei Zhu: Shanghai Jiao Tong University
Donghui Wei: Zhengzhou University
Guangchao Han: Chinese Academy of Sciences
Jie Min: Wuhan University
Yuan Zhang: Beihang University
Zengqi Xie: South China University of Technology
Yuanping Yi: Chinese Academy of Sciences
He Yan: Hong Kong University of Science and Technology
Feng Gao: Linköping University
Feng Liu: Shanghai Jiao Tong University
Yanming Sun: Beihang University

Nature Energy, 2021, vol. 6, issue 6, 605-613

Abstract: Abstract Molecular design of non-fullerene acceptors is of vital importance for high-efficiency organic solar cells. The branched alkyl chain modification is often regarded as a counter-intuitive approach, as it may introduce an undesirable steric hindrance that reduces charge transport in non-fullerene acceptors. Here we show the design and synthesis of a highly efficient non-fullerene acceptor family by substituting the beta position of the thiophene unit on a Y6-based dithienothiophen[3,2-b]-pyrrolobenzothiadiazole core with branched alkyl chains. It was found that such a modification to a different alkyl chain length could completely change the molecular packing behaviour of non-fullerene acceptors, leading to improved structural order and charge transport in thin films. An unprecedented efficiency of 18.32% (certified value of 17.9%) with a fill factor of 81.5% is achieved for single-junction organic solar cells. This work reveals the importance of the branched alkyl chain topology in tuning the molecular packing and blend morphology, which leads to improved organic photovoltaic performance.

Date: 2021
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DOI: 10.1038/s41560-021-00820-x

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