Propeller-Like All-Fused Perylene Diimide Based Electron Acceptors With Chalcogen Linkage for Efficient Polymer Solar Cells

Perylene diimide (PDI) is a widely explored chromophore for constructing non-fullerene acceptors (NFAs) for polymer solar cells (PSCs). The advantage of using PDI derivatives lies in the readily availability of PDI unit which largely reduces the synthesis cost and improves material stability. Indeed, the recent development of high performance NFAs shed light on the feasibility of the commercialization, but the complex synthesis and poor stability of the top performing NFAs cast a shadow on this bright future. Our previous work has demonstrated a propeller-like structure with three PDIs lined to a benzene center core with a C-C bond which prevented the PDIs to aggregate into undesired large crystals. In this work, we designed and synthesized three new propeller-like PDI derivatives with extra chalcogen linkages between the PDIs and the center core to form all-fused rigid structures. These molecules showed more suitable absorption range than that of their unfused counterparts when blend with donor polymer PTB7-Th. Comparing between the molecules with extra oxygen, sulfur or selenium linkages, the sulfur-based BTT-PDI outperformed the others due to its higher photon absorption and charge transport abilities. This work demonstrated the great potential of PDI derivatives for PSC applications and explored the influences of linkage type on the fused PDI derivatives, which provided a useful tuning knob for molecular design of PDI-based NFAs in the future.