Issue

Vol. 17 (2025)

Understanding the Decoupled Effects of Cations and Anions Doping for High-Performance Perovskite Solar Cells

https://doi.org/10.1007/s40820-025-01655-x
Tianxiang Hu
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Yixi Wang
Institute for Electric Light Sources, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Kai Liu
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Jia Liu
Hunan Key Laboratory of Nanophotonics and Devices, School of Physics, Central South University, Changsha 410083, People’s Republic of China
Haoyang Zhang
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Qudrat Ullah Khan
Vanced Materials Technology (Zhongshan) Co., Ltd., Guangdong 528437, People’s Republic of China
Shijie Dai
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Weifan Qian
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Ruochen Liu
Institute for Electric Light Sources, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Yanyan Wang
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Chongyuan Li
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Zhenru Zhang
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Mingxiang Luo
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Xiaofei Yue
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Chunxiao Cong
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Yongbo Yuan
Hunan Key Laboratory of Nanophotonics and Devices, School of Physics, Central South University, Changsha 410083, People’s Republic of China
Anran Yu
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China
Jia Zhang
The State Key Laboratory of Photovoltaic Science and Technology, Institute of Optoelectronics, Fudan University, Shanghai 200438, People’s Republic of China
Yiqiang Zhan
Center of Micro‑Nano System, School of Information Science and Technology, Fudan University, Shanghai 200438, People’s Republic of China

Corresponding Author: Yiqiang Zhan

yqzhan@fudan.edu.cn

Nano-Micro Letters, Vol. 17 (2025), Article Number: 145

Abstract

The past decade has witnessed the rapid increasement in power conversion efficiency of perovskite solar cells (PSCs). However, serious ion migration hampers their operational stability. Although dopants composed of varied cations and anions are introduced into perovskite to suppress ion migration, the impact of cations or anions is not individually explored, which hinders the evaluation of different cations and further application of doping strategy. Here we report that a special group of sulfonic anions (like CF3SO3−) successfully introduce alkaline earth ions (like Ca2+) into perovskite lattice compared to its halide counterparts. Furthermore, with effective crystallization regulation and defect passivation of sulfonic anions, perovskite with Ca(CF3SO3)2 shows reduced PbI2 residue and metallic Pb0 defects; thereby, corresponding PSCs show an enhanced PCE of 24.95%. Finally by comparing the properties of perovskite with Ca(CF3SO3)2 and FACF3SO3, we found that doped Ca2+ significantly suppressed halide migration with an activation energy of 1.246 eV which accounts for the improved operational stability of Ca(CF3SO3)2-doped PSCs, while no obvious impact of Ca2+on trap density is observed. Combining the benefits of cations and anions, this study presents an effective method to decouple the effects of cations and anions and fabricate efficient and stable PSCs.


Highlights:
1 Alkaline earth cations are successfully incorporated into perovskite lattice with the aid of sulfonic acid anions, while alkaline earth metal halides are lack of doping capacity.
2 The sulfonic acid anions effectively regulate the crystallization of perovskite and passivate the metallic Pb0 defect states, thereby improving the power conversion efficiency of perovskite solar cells.
3 By comparing the property of FACF3SO3 and Ca(CF3SO3)2-doped perovskite films, the impact of suppressing halide migration with an activation energy of 1.246 eV is attributed to Ca2+ cations, thus providing methodology for decoupling the effects of cations and anions.

Keywords

Perovskite solar cells Interstitial doping Effect decoupling Ion migration
Hu, Tianxiang, Yixi Wang, Kai Liu, Jia Liu, Haoyang Zhang, Qudrat Ullah Khan, Shijie Dai, Weifan Qian, Ruochen Liu, Yanyan Wang, Chongyuan Li, Zhenru Zhang, Mingxiang Luo, Xiaofei Yue, Chunxiao Cong, Yongbo Yuan, Anran Yu, Jia Zhang, and Yiqiang Zhan. 2025. “Understanding the Decoupled Effects of Cations and Anions Doping for High-Performance Perovskite Solar Cells”. Nano-Micro Letters 17 (February):145. https://doi.org/10.1007/s40820-025-01655-x.
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