Unique W-Shape Y6 isomer as effective solid additive for High-Performance PM6:Y6 polymer solar cells

Y6 isomer of i-Y6 with a W-shape was explored as a vitrification agent and a solid additive for polymer solar cells, providing a significant raise to the PCE of PM6:Y6 from 16.827% to 17.433% at a dosage of Y6:i-Y6 ratio of 24:1. [Display omitted] •Y6 isomer of i-Y6 was designed with the U-shaped Y6 molecule inverted to a W-shape.•i-Y6 molecule crystallized poorly in a different packing style than Y6.•i-Y6 was explored as a vitrification agent for PM6:Y6 polymer solar cells.•i-Y6 provided a raise to the PCE of PM6:Y6 blend from 16.827% to 17.433%. The current top-performing polymer solar cell (PSC) systems are mostly based on PM6:Y6 host blend. To date, numerous materials have been explored as the third component for these systems to form ternary blends or as additives. Vitrification agents are a group of additives proved to be useful in affecting the morphology of organic semiconductors. To design a suitable vitrification agent for non-fullerene electron acceptor Y6, an isomer strategy was explored where the thienothiophene wings of the Y6 molecule were inversed to form a W-shaped Y6 isomer of i-Y6. It was found that i-Y6 crystallized poorly with a different packing style than Y6 and could blend well in amorphous phase of Y6. These properties enabled i-Y6 to finely tune the morphology of PM6:Y6 blend at low additive dosages. The power conversion efficiency (PCE) of PM6:Y6 based PSC was raised from 16.827% to 17.433% at a dosage of Y6:i-Y6 ratio of 24:1. This work demonstrated isomerization as a viable strategy for developing solid additives for high performance PSC blends and vitrification agents as effective additives for tuning morphology and improving performances of PSCs.