Molecular backbone modification, alkyl-chain engineering,
and end-group
functionalization are promising strategies for developing efficient
high-performance non-fullerene acceptors (NFAs). Herein, two new NFAs,
named TPQ-eC7-4F and TPQ-eC7-4Cl, are designed and synthesized. Both
molecules have linear octyl chains on fused quinoxaline-containing
heterocyclics as the central backbone and difluorinated (2F)/dichlorinated
(2Cl) 1,1-dicyanomethylene-3-indanone (IC) as the end-group units.
The influences of alkyl-chains on fused quinoxaline backbone and different
halogenated end-groups on optical, electrochemical, and photovoltaic
performances of organic solar cells (OSCs) are studied. In comparison
with TPQ-eC7-4Cl, TPQ-eC7-4F exhibits blue-shifted absorptions with
higher molar extinction coefficients in the film state as well as
in the donor/acceptor (D/A) blend film state and up-shifting lowest
unoccupied molecular orbital (LUMO) energy level. As a result, the
OSC devices based on the PBDB-T:TPQ-eC7-4F display an outstanding
power conversion efficiency (PCE) of 15.83% with a simultaneously
increased open-circuit voltage (V
oc) of
0.85 V, a short-circuit current-density (J
sc) of 25.89 mA cm–2, and a fill factor (FF) of 72.20%,
whereas the PBDB-T:TPQ-eC7-4Cl-based OSC device shows a decent PCE
of 14.48% with a V
oc of 0.84 V, a J
sc of 24.56 mA/cm2, and an FF of
69.77%. To the best of our knowledge, this is the highest photovoltaic
performance of PBDB-T-based single-junction binary-OSCs. In comparison,
ascribed to the high crystallinity and low solubility of BTP-eC7-4Cl,
the corresponding PBDB-T:BTP-eC7-4Cl-based OSC device shows poor photovoltaic
performance (PCE of 11.87%). The experimental results demonstrate
that fine-tuning the fused quinoxaline backbone with alkyl-chain and
end-group functionalization are promising strategies to construct
high-performance NFAs for PBDB-T-based single-junction binary-OSCs.