A Trialkylsilylthienyl Chain-Substituted Small-Molecule Acceptor with Higher LUMO Level and Reduced Band Gap for Over 16% Efficiency Fullerene-Free Ternary Solar Cells

富勒烯 三元运算 轨道能级差 接受者 分子 材料科学 带隙 化学 光电子学 有机化学 物理 凝聚态物理 计算机科学 程序设计语言
作者
Dan Su,Man Pan,Zhongfei Liu,Tsz‐Ki Lau,Xiaofang Li,Fang Shen,Shuying Huo,Xinhui Lu,Aiguo Xu,He Yan,Zhan Chen
出处
期刊:Chemistry of Materials [American Chemical Society]
卷期号:31 (21): 8908-8917 被引量:54
标识
DOI:10.1021/acs.chemmater.9b02943
摘要

The ternary approach using a smaller band gap acceptor as the near-infrared (NIR) absorber to increase the short-circuit current density (Jsc) usually decreases the open-circuit voltage (Voc). In this contribution, we report a small-molecule acceptor, IN-4F, which has a reduced band gap and a higher LUMO level than IT-4F, hence enabling the concurrent increase in the Jsc and Voc when using IT-4F as the acceptor guest of the host binary of PM6:IT-4F. IN-4F was judiciously designed by fusing benzodithiophene (BDT) and thieno[2′,3′:4,5]thieno to make a larger π-system so as to upshift the LUMO level and reduce the optical band gap and, meanwhile, by substituting the BDT-4,8 positions with trialkylsilylthiophene chains to downshift the HOMO level to match the deep HOMO of PM6. Again, the structural similarity between IN-4F and IT-4F makes the nanoscaled homogeneous fine film morphology and the π–π stacking patterns both well kept; hence, the fill factor (FF) is well maintained. The IN-4F-based binary solar cell shows 13.1% efficiency, and its ternary solar cell blended with IT-4F supplies 14.9% efficiency. Again, the use of IN-4F as the guest acceptor of the PM6:Y6 system enables the increase in Voc due to its higher LUMO level, the increase in Jsc because of the increase in charge mobilities, and the maintenance of FF, affording 16.3% efficiency. This work demonstrates that the π-system extending and the trialkylsilylthiophene chain substitution can be an effective strategy to synthesize a nonfullerene acceptor guest to realize a ternary material system, which enables to increase Voc from its entanglement with Jsc (an issue of the current material approach).
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