Small-Molecule Electron Transport Layer with Siloxane-Functionalized Side Chains for Nonfullerene Organic Solar Cells

Active layer materials with silicone side chains have been broadly reported to have excellent long-term stability in harsh environments. However, the application of conjugated materials with silicone side chains in electron transport layers (ETLs) has rarely been reported. In this research, we synthesized for the first time a siloxane-modified perylene-diimide derivative (PDI-OSi) consisting of a side-chain substituent of siloxane and a conjugated group of perylene-diimide (PDI). The inserted siloxane functional groups not only can strengthen the light transmittance of PDI-OSi but also can remarkably expand its solubility and improve the film-forming ability and air stability of the material. Second, introducing siloxane-containing side chains can dramatically lower the work function and interfacial barrier of the electrode, thereby achieving a favorable ohmic contact. In addition, the moderate surface energy of siloxane functional groups makes PDI-OSi hydrophobic, which is conducive to forming excellent miscibility with hydrophobic active layers to promote charge transfer. When PDI-OSi is used as an ETL in organic solar cells (OSCs), operative exciton dissociation and more favorable surface morphology enable OSCs to realize a power conversion efficiency (PCE) of 13.99%. These results indicate that side-chain engineering with siloxane pendants is a facile strategy for constructing efficient OSCs.