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DOI: https://doi.org/10.6023/cjoc202507029

综述与进展

有机太阳能电池非富勒烯受体的分子结构空间拓扑研究进展

  • 刘小晨 ,
  • 雷英 ,
  • 唐楷 ,
  • 林昳 ,
  • 马昌期
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  • a四川轻化工大学化学工程学院 自贡 643000
    b中国科学院苏州纳米技术与纳米仿生研究所印刷电子研究中心创新实验室 苏州 215123
    c西交利物浦大学理学院化学与材料科学系 苏州 215000

收稿日期: 2025-07-21

  修回日期: 2025-09-26

  网络出版日期: 2025-11-05

基金资助

精细化工助剂及表面活性剂四川省高校重点实验室项目(No.E10509054)、四川轻化工大学652科研创新团队项目(No.SUSE652B008)、四川省钒钛材料工程技术研究中心开放项目(No.2023FTGC06)资助项目.

收起

Progress in Molecular Structure Topology of Non-Fullerene Acceptors for Organic Solar Cells

  • Liu Xiaochen ,
  • Lei Ying ,
  • Tang Kai ,
  • Lin Yi ,
  • Ma Chang-Qi
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  • aDepartment of Chemical Engineering, Sichuan University of Science & Engineering, Zigong, 64300
    bi-Lab & Printable Electronics Research Center, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou, 215123
    cDepartment of Chemistry and Materials Science, School of Science, Xi’an Jiaotong-Liverpool University, Suzhou, 215000

Received date: 2025-07-21

  Revised date: 2025-09-26

  Online published: 2025-11-05

Supported by

Key Laboratories of Fine Chemicals and Surfactants in Sichuan Provincial Universities (No. E10509054), the Scientific Research and Innovation Team Program of Sichuan University of Science and Engineering (No. SUSE652B008), and the Open Program of Sichuan Technology & Engineering Research Center for Vanadium Titanium Materials (No. 2023FTGC06).

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摘要

非富勒烯受体(NFAs)是有机太阳能电池活性层核心材料, 其分子结构空间拓扑创新推动器件效率与稳定性突破. 发展遵循问题驱动-结构优化-性能提升的科学逻辑. 早期苝二酰亚胺体系验证了非富勒烯受体可行性, 但刚性平面引发过度聚集, 限制载流子传输, 制约器件性能. 后续以茚并二噻吩[3,2-b]并噻吩(IDTT)为核心的ITIC系列采用A-D-A线性构型, 借刚性稠环抑制过度聚集, 首次将单结器件效率推至10%以上, 确立了以梯形稠环为核的设计思路. 双噻吩并[2'',3'':4',5']噻吩并[2',3':4,5]吡咯[3,2-e:2',3'-g][2,1,3]苯并噻二唑(BTP)为核的Y系列受体通过引入缺电子核和构建“C”型骨架拓宽光吸收并提升与给体相容性, 突破20%效率瓶颈并成为高效体系. 此后拓扑研究向多维拓展, 形成一维线性二维平面三维空间三类结构. 一维聚焦骨架优化与提升分子的刚性缓解电压损失; 二维借助共轭扩展增强π电子离域, 需进一步增强分子平面性并优化相分离; 三维通过立体空间的区域调控抑制过度聚集并促进电荷的各向同性传输. 本综述梳理了三类受体特征设计及进展, 揭示拓扑对性能的调控机制, 展望了未来设计方向, 为有机太阳能电池商业化提供参考.

关键词： 有机太阳能电池; 非富勒烯受体; 分子结构拓扑; 构效关系

本文引用格式

刘小晨 , 雷英 , 唐楷 , 林昳 , 马昌期 . 有机太阳能电池非富勒烯受体的分子结构空间拓扑研究进展[J]. 有机化学, 0 : 0 . DOI: 10.6023/cjoc202507029

Abstract

Non-fullerene acceptors (NFAs) are the core materials in the active layer of organic solar cells, where innovations in the spatial topology of their molecular structures have driven breakthroughs in device efficiency and stability. The development of NFAs follows a scientific logic of problem-driven design, structural optimization, and performance enhancement. Early perylene diimide-based systems demonstrated the feasibility of non-fullerene acceptors, but their rigid planar structures led to excessive aggregation, restricting charge carrier transport and constraining device performance. Subsequent ITIC series, featuring indacenodithieno[3,2-b]thiophene(IDTT) as the core, adopted an A-D-A linear configuration. By utilizing rigid fused rings to suppress excessive aggregation, this design achieved single-junction device efficiencies exceeding 10% for the first time, establishing a design strategy centered on ladder-type fused-ring cores. The dithieno [2'',3'':4',5'] thieno [2',3':4,5] pyrrolo [3,2-e:2',3'-g] [2,1,3] benzothiadiazole(BTP) cored Y series acceptors further expanded light absorption and enhanced compatibility with donor materials by introducing electron-deficient cores and constructing a "C"-shaped skeleton, breaking the 20% efficiency barrier and emerging as a highly efficient system. Subsequent topological research has expanded into multiple dimensions, forming three structural categories: one-dimensional linear, two-dimensional planar, and three-dimensional spatial structures. One-dimensional structures focus on backbone optimization and molecular rigidity improvement to mitigate voltage loss; two-dimensional structures utilize expanded π-electron delocalization but require further enhancement of planarity and optimization of phase separation; three-dimensional structures suppress excessive aggregation and enable isotropic charge transport by spatial confinement, promoting carrier mobility. This review outlines the characteristic designs and progress of these three types of acceptors, elucidates the regulatory mechanisms of topology on performance, and discusses future design directions, providing valuable insights for the commercialization of organic solar cells.

Key words： Organic Solar Cells; Non-fullerene acceptors; Molecular Structure Topology; Structure-property correlations

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