Anion–π interactions suppress phase impurities in FAPbI3 solar cells

Zijian Huang, Yang Bai, Xudan Huang, Jiatong Li, Yuetong Wu, Yihua Chen, Kailin Li, Xiuxiu Niu, Nengxu Li, Guilin Liu, Yu Zhang, Huachao Zai, Qi Chen, Ting Lei, Lifen Wang and Huanping Zhou ()
Additional contact information
Zijian Huang: Peking University
Yang Bai: Beijing Institute of Technology
Xudan Huang: Chinese Academy of Sciences
Jiatong Li: Peking University
Yuetong Wu: Peking University
Yihua Chen: Beijing Institute of Technology
Kailin Li: Peking University
Xiuxiu Niu: Beijing Institute of Technology
Nengxu Li: Peking University
Guilin Liu: Jiangnan University
Yu Zhang: Peking University
Huachao Zai: Peking University
Qi Chen: Beijing Institute of Technology
Ting Lei: Peking University
Lifen Wang: Chinese Academy of Sciences
Huanping Zhou: Peking University

Nature, 2023, vol. 623, issue 7987, 531-537

Abstract: Abstract Achieving both high efficiency and long-term stability is the key to the commercialization of perovskite solar cells (PSCs)1,2. However, the diversity of perovskite (ABX3) compositions and phases makes it challenging to fabricate high-quality films3–5. Perovskite formation relies on the reaction between AX and BX2, whereas most conventional methods for film-growth regulation are based solely on the interaction with the BX2 component. Herein, we demonstrate an alternative approach to modulate reaction kinetics by anion–π interaction between AX and hexafluorobenzene (HFB). Notably, these two approaches are independent but work together to establish ‘dual-site regulation’, which achieves a delicate control over the reaction between AX and BX2 without unwanted intermediates. The resultant formamidinium lead halides (FAPbI3) films exhibit fewer defects, redshifted absorption and high phase purity without detectable nanoscale δ phase. Consequently, we achieved PSCs with power conversion efficiency (PCE) up to 26.07% for a 0.08-cm2 device (25.8% certified) and 24.63% for a 1-cm2 device. The device also kept 94% of its initial PCE after maximum power point (MPP) tracking for 1,258 h under full-spectrum AM 1.5 G sunlight at 50 ± 5 °C. This method expands the range of chemical interactions that occur in perovskite precursors by exploring anion–π interactions and highlights the importance of the AX component as a new and effective working site to improved photovoltaic devices with high quality and phase purity.

Date: 2023
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DOI: 10.1038/s41586-023-06637-w

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