P3HT-Based Organic Solar Cells with a Photoresponse to 1000 nm Enabled by Narrow Band Gap Nonfullerene Acceptors with High HOMO Levels.

Three narrow band gap (NBG) acceptors, namely, TTDTC-0F, TTDTC-2F, and TTDTC-4F, were synthesized by introducing a strong electron-donating unit as the central core. The enhanced intramolecular charge transfer endows the three acceptors with high-lying highest occupied molecular orbitals (HOMOs) of ∼-5.20 eV and ultranarrow band gaps (∼1.25 eV). When blended with poly(3-hexylthiophene) (P3HT), all organic solar cells (OSCs) exhibited a broad photoresponse from 300 to ∼1000 nm. Among them, P3HT:TTDTC-4F-based devices achieved the highest efficiency of 7.81% with a prominent Jsc exceeding 22 mA·cm-2. This study demonstrates that the conjugated molecules with high HOMOs can also function as acceptor materials for P3HT-based OSCs, which opens a window to increase PCEs of P3HT-based OSCs in the future to the level of the devices based on the current state-of-the-art polymer donor materials.