π-Extended Nonfullerene Acceptor for Compressed Molecular Packing in Organic Solar Cells To Achieve over 20% Efficiency

Yuandong Sun(Wuhan University of Technology), Liang Wang(Wuhan University of Technology), Chuanhang Guo(Wuhan University of Technology), Jingtao Xiao(Wuhan University of Technology), Chenhao Liu(Wuhan University of Technology), Chen Chen(Wuhan University of Technology), Weiyi Xia(Wuhan University of Technology), Zirui Gan(Wuhan University of Technology), Jingchao Cheng(Wuhan University of Technology), Jinpeng Zhou(Wuhan University of Technology), Zhenghong Chen(Wuhan University of Technology), Jing Zhou(Wuhan University of Technology), Dan Liu(Wuhan University of Technology), Tao Wang(Wuhan University of Technology), Wei Li(Wuhan University of Technology)
Journal of the American Chemical Society
April 19, 2024
10.1021/jacs.4c01503
Cited by 540

Abstract

Organic photovoltaics (OPVs) suffer from a trade-off between efficient charge transport and suppressed nonradiative recombination due to the aggregation-induced luminance quenching of organic semiconductors. To resolve this grand challenge, a π-extended nonfullerene acceptor (NFA) B6Cl with large voids among the honeycomb network is designed and introduced into photovoltaic systems. We find that the presence of a small amount of (i.e., 0.5 or 1 wt %) B6Cl can compress the molecular packing of the host acceptor L8-BO, leading to shortened π–π stacking distance from 3.59 to 3.50 Å (that will improve charge transport) together with ordered alkyl chain packing (that will inhibit nonradiative energy loss due to the suppressed C–C and C–H bonds vibrations), as validated by high-energy X-ray scattering measurements. This morphology transformation ultimately results in simultaneously improved JSC, FF, and VOC of OPVs. As a result, the maximum PCEs of PM6:L8-BO and D18:L8-BO are increased from 19.1 and 19.3% to 19.8 and 20.2%, respectively, which are among the highest values for single-junction OPVs. The university of B6Cl to increase the performance of OPVs is further evidenced in a range of polymer:NFA OPVs.

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