Citation: Zhenhuan Wang, Weifei Wei, Ruijie Ma, Dou Luo, Zhanxiang Chen, Jun Zhang, Liyang Yu, Gang Li, Zhenghui Luo. 苯并[a]苯嗪受体的核心氰基化实现高效(19.04%)绿色溶剂加工的二元有机太阳能电池[J]. Acta Physico-Chimica Sinica, ;2026, 42(2): 100182. doi: 10.1016/j.actphy.2025.100182 shu

苯并[a]苯嗪受体的核心氰基化实现高效(19.04%)绿色溶剂加工的二元有机太阳能电池

Zhenhuan Wang ¹ ,
Weifei Wei ¹ ,
Ruijie Ma ² ,
Dou Luo ³ ,
Zhanxiang Chen ¹ ,
Jun Zhang ¹ ,
Liyang Yu ⁴ ,
Gang Li ² ,
Zhenghui Luo ^1,,

1.
Guangdong Provincial Key Laboratory of New Energy Materials Service Safety, Shenzhen Key Laboratory of New Information Display and Storage Materials, College of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, Guangdong Province, China
2.
Department of Electronic and Information Engineering, Research Institute for Smart Energy (RISE), Guangdong-Hong Kong-Macao (GHM) Joint Laboratory for Photonic-Thermal-Electrical Energy Materials and Devices, The Hong Kong Polytechnic University, Hong Kong 999077, China
3.
Department of Applied Biology and Chemical Technology and Research Institute for Smart Energy, The Hong Kong Polytechnic University, Hong Kong 999077, China
4.
Research Institute of Frontier Science, Southwest Jiaotong University, Chengdu 610031, Sichuan Province, China

Corresponding author: Zhenghui Luo, zhhuiluo@szu.edu.cn
Received Date: 9 July 2025
Revised Date: 24 August 2025
Accepted Date: 4 September 2025

氰基化作为一种有效的分子工程策略，能够通过协同的电子效应和空间效应精确调控有机半导体的前线轨道能级与超分子组装行为。本研究设计并合成了一种新型氰基取代的小分子受体NA8，其基于苯并[a]苯嗪核心结构，利用氰基的高极性和线性构型来增强分子间作用并促进电荷分离。理论与实验结果表明，氰基取代在削弱分子内电荷转移作用(引起吸收蓝移)的同时，显著提升了分子间作用和堆积行为，使NA8表现出相对于中心核无氰基取代的对比分子NA1更高的结晶相干长度。受益于这一分子层面的优化，采用绿色溶剂邻二甲苯制备的PM6:NA8器件实现了19.04%的优异光电转换效率(对比PM6 : NA1的15.14%)，其性能提升主要归因于更高的短路电流密度(27.35 mA cm⁻²)和填充因子(78.3%)。进一步的原子力显微镜(AFM)、掠入射广角X射线衍射(GIWAXS)和瞬态吸收光谱(TAS)表征证实，NA8基器件的优异性能源于更理想的相分离形貌、更高的载流子迁移率以及更快的激子解离过程。尽管开路电压略有降低(0.889 V vs. 0.914 V)，这与氰基引入后C–C键振动增强所致的重组能升高相符。综上，核心氰基化为开发兼具高效率与非卤代溶剂加工兼容性的受体材料提供了一条有效途径，并为新一代有机光伏的分子设计提供了参考。
- Small molecular acceptor,
- Organic solar cells,
- Power conversion efficiency,
- Cyano substitution,
- Molecular interaction
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沈阳化工大学材料科学与工程学院沈阳 110142