Huang Youle, Tao Mingquan, Zhang Yijing, Wang Zhihui, Sun Zhe, Zhang Wenfeng, Xiong Yonglian, Zong Xueping, Wang Yang, Liang Mao
Tianjin Key Laboratory of Organic Solar Cells and Photochemical Conversion Institution, Department of Applied Chemistry, Tianjin University of Technology, 300384, Tianjin, China.
Key Laboratory of Green Printing, Institute of Chemistry, Chinese Academy of Sciences, 100190, Beijing, China.
Angew Chem Int Ed Engl. 2025 Jan 21;64(4):e202416188. doi: 10.1002/anie.202416188. Epub 2024 Nov 6.
Carbazole-based self-assembled molecules (SAMs) are widely applied in inverted perovskite solar cells (iPSCs) due to their unique molecular properties. However, the symmetrical structure of the carbazole-based SAMs makes it difficult to finely regulate their performance, which impedes the further enhancement of the efficiency and stability of iPSCs. This work demonstrates that by constructing an asymmetric carbazole core, 9H-thieno[2',3' : 4,5]thieno[3,2-b]indole) (TTID), the key properties of SAM molecules can be effectively regulated. It has been confirmed that the hybrid thieno[2,3-b]thiophene unit of this asymmetric core governs the energy level, the surface wettability, and the defect passivation capability of the SAMs, while the substituent of core has a greater impact on the molecular dipole and device stability. The synergistic effects from thieno[2,3-b]thiophene and fluorine lead to the KF-derived iPSC demonstrating a certified power conversion efficiency (PCE) of 25.17 % and excellent operational stability. This hybrid design concept offers a promising approach for the further structural modification of SAMs in iPSCs.
基于咔唑的自组装分子（SAMs）因其独特的分子性质而被广泛应用于倒置钙钛矿太阳能电池（iPSCs）中。然而，基于咔唑的SAMs的对称结构使得难以精细调节其性能，这阻碍了iPSCs效率和稳定性的进一步提高。这项工作表明，通过构建不对称咔唑核心9H-噻吩并[2',3':4,5]噻吩并[3,2-b]吲哚（TTID），SAM分子的关键性质可以得到有效调节。已经证实，这种不对称核心的杂化噻吩并[2,3-b]噻吩单元控制着SAMs的能级、表面润湿性和缺陷钝化能力，而核心的取代基对分子偶极和器件稳定性有更大影响。噻吩并[2,3-b]噻吩和氟的协同效应使得基于KF的iPSC展现出25.17%的认证功率转换效率（PCE）和出色的运行稳定性。这种混合设计概念为iPSCs中SAMs的进一步结构修饰提供了一种有前景的方法。
