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

doi:10.6023/A25090310

Acta Chimica Sinica ›› 2026, Vol. 84 ›› Issue (2): 223-230.DOI: 10.6023/A25090310 Previous Articles Next Articles

Article

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
About author:
†These authors contributed equally to this work
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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Abstract

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

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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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Fig. & Tab. 5

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

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

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

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

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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界面修饰和偶极子实现高效碳基CsPbI2Br钙钛矿太阳能电池