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<p>Designing acceptors with high photoluminescence quantum yield (PLQY) and high crystallinity is crucial for minimizing non-radiative energy losses (Δ<i>E</i><sub>3</sub>) and realizing highly efficient organic solar cells (OSCs). Herein, we report three acceptor-donor-acceptor acceptors (GM series) featuring a novel centrally extended structure. Following the structural characteristics of GM2 and GM3, GM4 exhibits a distorted conformation of its central unit that reduces molecular packing density, leading to an enhanced PLQY. Despite its nonplanar geometry, the central unit maintains participation in efficient “C/C” molecular packings. Besides, benefiting from the brominated fused-ring structure, GM4 exhibits decreased energy disorder and enhanced crystallinity. As a result, binary OSCs leveraging GM4 demonstrate a high open-circuit voltage (<i>V</i><sub>OC</sub>) and an exceptionally low Δ<i>E</i><sub>3</sub>, resulting in a power conversion efficiency (PCE) of 16.5%. When incorporated as a guest acceptor into the D18:L8-BO films, GM4 optimizes the ternary film morphology, enhancing exciton generation and charge transport. Consequently, the D18:L8-BO:GM4 ternary device reached a maximum PCE of 20.2%, with simultaneous improvements in <i>V</i><sub>OC</sub>, short-circuit current density, and fill factor. This study not only expands a new molecular design strategy, but also demonstrates that appropriate regulation of molecular packing density is an effective strategy for achieving a high PLQY and crystallinity.</p>

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De novo design of A-D-A-structured acceptors with a high photoluminescence quantum yield and crystallinity for 20.2%-efficiency organic solar cells

  • 期刊论文

  • 发表日期：

    2026年1月4日

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  • Peiran Wang,
  • Jia Wang,
  • Yanyi Zhong,
  • Jiangbin Zhang,
  • Tainan Duan,
  • Jiaying Wang,
  • Zhe Zhang,
  • Zheng Xu,
  • Jian Liu,
  • Xiangjian Wan,
  • Bin Kan,
  • Yongsheng Chen

摘要

Designing acceptors with high photoluminescence quantum yield (PLQY) and high crystallinity is crucial for minimizing non-radiative energy losses (ΔE3) and realizing highly efficient organic solar cells (OSCs). Herein, we report three acceptor-donor-acceptor acceptors (GM series) featuring a novel centrally extended structure. Following the structural characteristics of GM2 and GM3, GM4 exhibits a distorted conformation of its central unit that reduces molecular packing density, leading to an enhanced PLQY. Despite its nonplanar geometry, the central unit maintains participation in efficient “C/C” molecular packings. Besides, benefiting from the brominated fused-ring structure, GM4 exhibits decreased energy disorder and enhanced crystallinity. As a result, binary OSCs leveraging GM4 demonstrate a high open-circuit voltage (VOC) and an exceptionally low ΔE3, resulting in a power conversion efficiency (PCE) of 16.5%. When incorporated as a guest acceptor into the D18:L8-BO films, GM4 optimizes the ternary film morphology, enhancing exciton generation and charge transport. Consequently, the D18:L8-BO:GM4 ternary device reached a maximum PCE of 20.2%, with simultaneous improvements in VOC, short-circuit current density, and fill factor. This study not only expands a new molecular design strategy, but also demonstrates that appropriate regulation of molecular packing density is an effective strategy for achieving a high PLQY and crystallinity.