Background: Perylene diimide (PDI) is among the most investigated non-fullerene electron
acceptor for organic solar cells (OSCs). Constructing PDI derivatives into three-dimensional propellerlike
molecular structures is not only one of the viable routes to suppress the over aggregation tendency
of the PDI chromophores but also rise possibilities to tune and optimize the optoelectronic property of
Objective: In this work, we reported the design, synthesis, and characterization of three electronaccepting
materials, namely BOZ-PDI, BTZ-PDI, and BIZ-PDI, each with three PDI arms linked to
benzotrioxazole, benzotrithiazole, and benzotriimidazole based center cores, respectively.
Methods: The introduction of electron-withdrawing center cores with heteroatoms does not significantly
complicate the synthesis of the acceptor molecules, but drastically influences the energy levels
of the propeller-like PDI derivatives.
Results: The highest power conversion efficiency was obtained with benzoxazole-based BOZ-PDI
reaching 7.70% for its higher photon absorption and charge-transport ability.
Conclusion: This work explores the utilization of electron-withdrawing cores with heteroatoms in the
propeller-like PDI derivatives, which provides a handy tool to construct high-performance nonfullerene