Side chain engineering investigation of non-fullerene acceptors for photovoltaic device with efficiency over 15%

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de chain engineering investigation of non-fullerene acceptors for photovoltaic device with efficiency over 15% 1†

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Xin Zhang , Yunqian Ding , Huanran Feng , Huanhuan Gao , Xin Ke , Hongtao Zhang , 1 1,4* 1,3,4 Chenxi Li , Xiangjian Wan & Yongsheng Chen 1

The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials, Institute of Polymer Chemistry, College of Chemistry, Nankai University, Tianjin 300071, China; School of Materials Science and Engineering, National Institute for Advanced Materials, Nankai University, Tianjin 300350, China; 3 State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071, China; 4 Renewable Energy Conversion and Storage Center (RECAST), Nankai University, Tianjin 300071, China

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Received June 11, 2020; accepted July 9, 2020; published online September 1, 2020

Side chain engineering plays a substantial role for high-performance organic solar cells (OSCs). Herein, a series of non-fullerene acceptor (NFA) molecules with A-D-A structures, TTCn-4F, with gradient substituent lengths of terminal side chains (T-SCs) on the molecular backbones have been designed and synthesized. The effects of T-SCs length, ranging from hydrogen atom to n-dodecyl, their optoelectronic properties, thin film molecular packing, blend film morphology, and overall photovoltaic performance have been systematically studied. The results show that among this series of molecules, TTC8-4F with n-octyl substituent, showed the best photovoltaic performance when applied with PM6 as the donor due to its favorable morphology, balanced charge mobility, effective exciton dissociation and less charge recombination. Based on this, its ternary device with F-Br as the secondary acceptor achieved a high PCE of 15.34% with the simultaneously enhanced Voc of 0.938 V, Jsc of −2 22.66 mA cm , and FF of 72.15%. These results indicate that the engineering of T-SCs is an effective strategy for designing high-performance NFAs. organic solar cells, non-fullerene acceptor, side chains Citation:

Zhang X, Ding Y, Feng H, Gao H, Ke X, Zhang H, Li C, Wan X, Chen Y. Side chain engineering investigation of non-fullerene acceptors for photovoltaic device with efficiency over 15%. Sci China Chem, 2020, 63, https://doi.org/10.1007/s11426-020-9820-2

1 Introduction Among various photovoltaic technologies, organic solar cells (OSCs) have drawn great attention due to the advantages such as low cost, flexibility, light weight [1,2]. In recent years, studies on OSCs have made great progress, especially after the discovery of high-efficiency non-fullerene acceptors (NFAs) [3–8]. The power conversion efficiencies (PCEs) of state-of-the-art single-junction and tandem OPVs have exceeded 18% and 17%, respectively †These authors contributed equally to this work. *Corresponding author (email: [email protected])

[9,10]. Presently, NFAs with the acceptor-donor-acceptor (A-D-A) architecture have demonstrated great success owing to the easy control of absorptions, energy levels and mol