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Efficient small-molecule donor with improved structural order and molecular aggregation enabled by side-chain modification

         

摘要

Side-chain modification is a proven effective approach for morphology manipulation in organic solar cells(OSCs).However,in-depth analysis and investigation involving side-chain modification towards morphology improvement,including molecular microstructure,orientating packing and aggregation are urgent for all-small-molecule(ASM)systems.Herein,employing a fluorine-modified two-dimension benzodithiophene(BDT)as central unit,we contrastively synthesized two small-molecule donors,namely BDT-F-SR and BDT-F-R,each welding alkylthio side-chains on thienyl of central BDT unit and the other grafted non-sulfuric alkyl side-chains.As predicted,the synergetic side-chain modification of fluorination and alkyl changeover triggers diverse molecular dipole moments and orientations,resulting in different molecular energy levels,thermal stabilities,molecular planarity and order.Eventually,together with the preeminent small-molecule acceptor Y6,BDT-F-R-based ASM OSCs obtain enhanced power conversion efficiency(PCE)of 13.88%compared to BDT-F-SR-based devices(PCE of 12.75%)with more suitable phase-separation and balanced carrier mobilities.The contrast results reveal that alkyl sidechains seem to be a more satisfactory partner for fluorine-modified 2D BDT-based small-molecule donors compared to alkylthio pendants,and highlight the significance of subtle side-chain modification for molecular structural order fun-tuning and morphology control,laying the foundation for efficient ASM OSCs.

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