Effect of Isomerization on High-Performance Nonfullerene Electron Acceptors.

We design and synthesize two isomeric fused-ring electron acceptors, FNIC1 and FNIC2, which have the same end-groups and side-chains, but isomeric fused-nine-ring cores. Subtle changes in the two isomers influence their electronic, optical, charge-transport, and morphological properties. As compared with FNIC1, FNIC2 film exhibits a red-shifted absorption peak at 794 nm (752 nm for FNIC1), larger electron affinity of 4.00 eV (3.92 eV for FNIC1), smaller ionization energy of 5.56 eV (5.61 eV for FNIC1), and higher electron mobility of 1.7 × 10-3 cm2 V-1 s-1 (1.2 × 10-3 cm2 V-1 s-1 for FNIC1). The as-cast organic solar cells based on PTB7-Th:FNIC2 blends exhibit a power conversion efficiency (PCE) of 13.0%, which is significantly higher than that of PTB7-Th:FNIC1-based devices (10.3%). Semitransparent devices based on PTB7-Th:FNIC2 blends exhibit PCEs varying from 9.51% to 11.6% at different average visible transmittance (AVT, 20.3- 13.6%), significantly higher than those of PTB7-Th:FNIC1-based devices (7.58-9.14% with AVT of 20.2- 14.7%).