A narrow band gap non-fullerene electron acceptor based on a dithieno-3,2-b:2′,3′-dlpyrrole unit for high performance organic solar cells with minimal highest occupied molecular orbital offset

Abstract

Here, a new narrow band gap non-fullerene small molecular acceptor (NFSMA) based on a dithieno-3,2-b:2′,3′-dlpyrrole(DTP) unit, namely SNIC-F, was designed and synthesized. Due to the strong electron-donating ability of the DTP-based fused-ring core, SNIC-F showed a strong intramolecular-charge transfer (ICT) effect and thus gave a narrow band gap of 1.32 eV. Benefiting from the low band gap and efficient charge separation, when pairing with a copolymer PBTIBDTT, the device optimized by 0.5% 1-CN gave a high short circuit current (J_sc) of 19.64 mA cm⁻². In addition, a high open-circuit voltage (V_oc) of 0.83 V was obtained due to the near 0 eV highest occupied molecular orbital (HOMO) offset between PBTIBDTT and SNIC-F. As a result, a high power conversion efficiency (PCE) of 11.25% was obtained, and the PCE was maintained above 9.2% as the active layer thickness increased from 100 nm to 250 nm. Our work indicated that designing a narrow band gap NFSMA-based DTP unit and blending it with a polymer donor with small HOMO offset is an efficient strategy for achieving high performance OSCs.