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

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 ce...

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