界面修饰和偶极子实现高效碳基CsPbI2Br钙钛矿太阳能电池

doi:10.6023/A25090310

化学学报 ›› 2026, Vol. 84 ›› Issue (2): 223-230.DOI: 10.6023/A25090310 上一篇下一篇

研究论文

界面修饰和偶极子实现高效碳基CsPbI₂Br钙钛矿太阳能电池

高林^a^,^†, 江东彬^a^,^†, 徐源^b, 姚青^a, 刘冯立^a, 孙伟海^a, 杜振波^a, 孙留学^a^,^c, 吴季怀^a^,^*(), 兰章^a^,^*()

^a 华侨大学材料科学与工程学院环境友好功能材料教育部工程研究中心福建省光电功能材料重点实验室厦门 361021
^b 河南工学院材料科学与工程学院新乡 453003
^c 华侨大学分析测试中心厦门 361021

投稿日期:2025-09-12 发布日期:2025-11-27
基金资助:
项目受国家自然科学基金(51972123); 项目受国家自然科学基金(52372190); 福建省自然科学基金(2023J01116); 环境友好功能材料教育部工程研究中心(51101); 环境友好功能材料教育部工程研究中心(5032502)

Interface Modification and Dipole Realization for Efficient Carbon-based CsPbI₂Br Perovskite Solar Cells

Lin Gao^a, Dongbin Jiang^a, Yuan Xu^b, Qing Yao^a, Fengli Liu^a, Weihai Sun^a, Zhenbo Du^a, Liuxue Sun^a^,^c, Jihuai Wu^a^,^*(), Zhang Lan^a^,^*()

^a School of Materials Science and Engineering, Huaqiao University, Engineering Research Center of Environment-Friendly Functional Materials, Ministry of Education. Fujian Key Laboratory of Photoelectric Functional Materials, Xiamen 361021
^b School of Materials Science and Engineering, Henan Institute of Technology, Xinxiang 453003
^c Instrumental Analysis Center, Huaqiao University, Xiamen 361021

Received:2025-09-12 Published:2025-11-27
Contact: *E-mail: jhwu@hqu.edu.cn;lanzhang@hqu.edu.cn
Supported by:
National Natural Science Foundation of China(51972123); National Natural Science Foundation of China(52372190); Natural Science Foundation of Fujian Province(2023J01116); Engineering Research Center of Environmentally Friendly Functional Materials of the Ministry of Education(51101); Engineering Research Center of Environmentally Friendly Functional Materials of the Ministry of Education(5032502)

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摘要/Abstract

碳基无空穴传输层CsPbI₂Br太阳能电池(C-PSCs)的制备工艺简单. 然而, CsPbI₂Br钙钛矿层与碳电极之间的界面存在大量缺陷, 通过引入2-氨基苯并噻唑(BTA)作为界面修饰剂, 改善界面质量, 以提升器件的性能和稳定性. 噻唑环的N和S原子以及BTA中的氨基通过路易斯酸碱配位有效降低了CsPbI₂Br表面的缺陷态密度. 这些相互作用有效抑制了电荷的非辐射复合, 并改善了钙钛矿薄膜和碳电极之间的界面接触. 此外, BTA分子的固有偶极矩在界面处起到电偶极层的作用, 从而调节了CsPbI₂Br表面的电子态和性质, 优化了能级排列并促进了空穴的快速提取和传输. 将C-PSCs的功率转换效率(PCE)提高到14.17%, 远高于未修饰器件的12.40%. 经过BTA处理的器件在空气环境中存放30 d后, 仍能保持初始PCE的80%, 重复性和环境稳定性显著增强.

关键词: 全无机钙钛矿, CsPbI₂Br, 缺陷钝化, 界面修饰, 偶极子

The preparation of carbon-based hole-free transport layer all-inorganic perovskite CsPbI₂Br solar cells is straightforward, cost-effective, and currently one of the key research areas. However, the interface between the CsPbI₂Br perovskite layer, fabricated via one-step solution spin-coating, and the carbon electrode is characterized by a high density of defects. These defects contribute to substantial non-radiative recombination, which severely limits the device’s photoconversion efficiency. To address this issue, we present an exceptionally simple interface modification strategy aimed at enhancing the interface quality between the CsPbI₂Br perovskite layer and the carbon electrode. Specifically, we introduce 2-aminobenzothiazole (BTA) as an interface modifier. By spin-coating an isopropanol solution containing various concentrations of BTA onto the surface of the CsPbI₂Br perovskite layer, we passivate the surface defects, thereby improving the interface quality and boosting both device performance and operational stability. The thiazole ring and amino group in BTA effectively reduce the defect density on the CsPbI₂Br perovskite surface through Lewis acid-base coordination. This modification substantially improves both the surface morphology and the interface contact of the CsPbI₂Br perovskite film, leading to an enhanced internal electric field and a reduction in non-radiative recombination. Furthermore, the inherent dipole moment of BTA molecules generates an electric dipole layer at the CsPbI₂Br interface, which modulates the electronic states and work function at the interface, optimizing the energy level alignment between the perovskite layer and the carbon electrode. As a result, the interface characteristics between the CsPbI₂Br perovskite film and the carbon electrode are effectively tuned, facilitating improved hole extraction and transport. Consequently, the device incorporating BTA treatment exhibits a photoelectric conversion efficiency (PCE) of 14.17%, an open-circuit voltage (V_OC) of 1.25 V, a short-circuit current density (J_SC) of 14.62 mA•cm⁻², and a fill factor (FF) of 77.61%. These values are significantly higher compared to those of devices without BTA treatment (PCE: 12.40%, V_OC: 1.21 V, J_SC: 14.19 mA•cm⁻², FF: 72.23%). Furthermore, after 30 d of exposure to air at 20% relative humidity, the BTA-treated device retains 80% of its initial efficiency, whereas the untreated device only maintains 50% of its initial efficiency. This demonstrates that the BTA-modified device offers remarkable reproducibility and environmental stability. The proposed BTA interface modification strategy provides valuable insights for the development of efficient and stable carbon-based hole-free transport layer all-inorganic CsPbI₂Br perovskite solar cells.

Key words: all-inorganic perovskite, CsPbI₂Br, defect passivation, interface modification, dipole molecule

引用此文

高林, 江东彬, 徐源, 姚青, 刘冯立, 孙伟海, 杜振波, 孙留学, 吴季怀, 兰章. 界面修饰和偶极子实现高效碳基CsPbI₂Br钙钛矿太阳能电池[J]. 化学学报, 2026, 84(2): 223-230.

Lin Gao, Dongbin Jiang, Yuan Xu, Qing Yao, Fengli Liu, Weihai Sun, Zhenbo Du, Liuxue Sun, Jihuai Wu, Zhang Lan. Interface Modification and Dipole Realization for Efficient Carbon-based CsPbI₂Br Perovskite Solar Cells[J]. Acta Chimica Sinica, 2026, 84(2): 223-230.

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图/表 5

图1. (a) CsPbI2Br 薄膜上部界面的后处理工艺流程图; CsPbI2Br薄膜在经过BTA界面改性前后: (b) SEM图像; (c) AFM图像; (d) XRD图谱

Figure 1. (a) CsPbI2Br film upper interface post-treatment process flow chart; CsPbI2Br perovskite films before and after BTA interface modification: (b) SEM images; (c) AFM images; (d) XRD patterns

图2. 未经及经BTA界面处理的CsPbI2Br薄膜的XPS光谱: (a) Cs 3d; (b) Br 3d; (c) I 3d; (d) Pb 4f; (e) S 2p; (f) N 1s.

Figure 2. XPS spectra of CsPbI2Br films before and after BTA interface modification: (a) Cs 3d; (b) Br 3d; (c) I 3d; (d) Pb 4f; (e) S 2p; (f) N 1s

图3. BTA界面处理前后的CsPbI2Br薄膜: (a)表面电位分布图(KPFM); (b)相应区域的表面电位(或接触电位差)曲线; (c) UPS谱图; (d)紫外-可见光谱; (e) Tauc图; (f)器件中各功能层的能级排列; (g)表面偶极子的电荷转移和BTA排列

Figure 3. CsPbI2Br perovskite films before and after BTA interface modification: (a) Surface potential profile (KPFM); (b) The surface potential (or contact potential difference) curve of the corresponding region; (c) UPS spectrum diagram; (d) UV-vis spectra; (e) Tauc diagram; (f) Energy level arrangement of each functional layer in PSCs; (g) charge transfer and BTA arrangement of surface dipoles

图4. 原始装置与使用最佳浓度的BTA进行修饰后的装置: (a) M-S曲线; (b)光强度与开路电压关系曲线; (c) TPC衰减曲线; (d) TPV衰减曲线; (e) EIS曲线; (f) SCLC曲线

Figure 4. Original device and device modified with optimal concentration of BTA: (a) M-S curve; (b) VOC light intensity dependence curve; (c) TPC attenuation curve; (d) TPV attenuation curve; (e) EIS curve; (f) SCLC curve

图5. 原始器件与BTA修饰器件: (a) J-V曲线; (b) EQE-IPCE曲线; (c)最大功率点的稳态输出曲线; (d) PCE统计图; (e)器件的长期稳定性

Figure 5. Original device and BTA-modified device: (a) J-V curve; (b) IPCE integration curve; (c) Steady-state output curve of maximum power point; (d) PCE statistical box diagram; (e) Long-term PCE stability of the device

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界面修饰和偶极子实现高效碳基CsPbI₂Br钙钛矿太阳能电池

Interface Modification and Dipole Realization for Efficient Carbon-based CsPbI₂Br Perovskite Solar Cells

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