Modifying the end-capping groups in nonfullerene acceptors
(NFAs)
is an effective strategy for modulating their properties and that
of the entire NFAs. This study reports the synthesis of a novel γ-ester-functionalized
IC end-capping group (IC-γe) and its incorporation into the
benzothiadiazole-fused central core, yielding isomer-free IC-γe
end-capped NFAs, such as Y-IC-γe, Y-FIC-γe, and Y-ClIC-γe.
The resultant NFAs exhibited similar absorption profiles but upshifted
the lowest unoccupied molecular orbital energy level compared with
those of the ester-free analogues, such as Y6 and Y7. Without thermal
annealing, an excellent power conversion efficiency (PCE) of 16.4%
is realized in the annealing-free OSC based on Y-FIC-γe with
the PM6 donor polymer, which outperforms the OSCs based on Y-IC-γe
and Y-ClIC-γe. In addition, the OSCs based on asymmetric Y-FIC-γe
and Y-ClIC-γe have higher thermal stability with more than 83%
PCE retention at an elevated temperature after 456 h than the symmetric
Y-IC-γe case. In this study, we not only establish the structure–property
relationship regarding the ester functionality and symmetricity tuning
on the NFAs but also diagnose the reasons for the best-performing
Y-FIC-γe-based OSCs, providing useful information for a novel
high-performing NFA design strategy.