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Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells

Author

Listed:
  • Nengxu Li

    (Peking University)

  • Shuxia Tao

    (Eindhoven University of Technology)

  • Yihua Chen

    (Peking University)

  • Xiuxiu Niu

    (Beijing Institute of Technology)

  • Chidozie K. Onwudinanti

    (Center for Computational Energy Research, DIFFER—Dutch Institute for Fundamental Energy Research)

  • Chen Hu

    (The Hong Kong University of Science and Technology)

  • Zhiwen Qiu

    (Peking University)

  • Ziqi Xu

    (Peking University)

  • Guanhaojie Zheng

    (Peking University)

  • Ligang Wang

    (Peking University)

  • Yu Zhang

    (Peking University)

  • Liang Li

    (Peking University)

  • Huifen Liu

    (Peking University)

  • Yingzhuo Lun

    (Beijing Institute of Technology)

  • Jiawang Hong

    (Beijing Institute of Technology)

  • Xueyun Wang

    (Beijing Institute of Technology)

  • Yuquan Liu

    (Central South University)

  • Haipeng Xie

    (Central South University)

  • Yongli Gao

    (Central South University
    University of Rochester)

  • Yang Bai

    (Beijing Institute of Technology)

  • Shihe Yang

    (The Hong Kong University of Science and Technology
    Shenzhen Graduate School, Peking University)

  • Geert Brocks

    (Eindhoven University of Technology
    University of Twente)

  • Qi Chen

    (Beijing Institute of Technology)

  • Huanping Zhou

    (Peking University)

Abstract

Defects play an important role in the degradation processes of hybrid halide perovskite absorbers, impeding their application for solar cells. Among all defects, halide anion and organic cation vacancies are ubiquitous, promoting ion diffusion and leading to thin-film decomposition at surfaces and grain boundaries. Here, we employ fluoride to simultaneously passivate both anion and cation vacancies, by taking advantage of the extremely high electronegativity of fluoride. We obtain a power conversion efficiency of 21.46% (and a certified 21.3%-efficient cell) in a device based on the caesium, methylammonium (MA) and formamidinium (FA) triple-cation perovskite (Cs0.05FA0.54MA0.41)Pb(I0.98Br0.02)3 treated with sodium fluoride. The device retains 90% of its original power conversion efficiency after 1,000 h of operation at the maximum power point. With the help of first-principles density functional theory calculations, we argue that the fluoride ions suppress the formation of halide anion and organic cation vacancies, through a unique strengthening of the chemical bonds with the surrounding lead and organic cations.

Suggested Citation

  • Nengxu Li & Shuxia Tao & Yihua Chen & Xiuxiu Niu & Chidozie K. Onwudinanti & Chen Hu & Zhiwen Qiu & Ziqi Xu & Guanhaojie Zheng & Ligang Wang & Yu Zhang & Liang Li & Huifen Liu & Yingzhuo Lun & Jiawang, 2019. "Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells," Nature Energy, Nature, vol. 4(5), pages 408-415, May.
    • Handle: RePEc:nat:natene:v:4:y:2019:i:5:d:10.1038_s41560-019-0382-6
    DOI: 10.1038/s41560-019-0382-6
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    Cited by:

    1. Xinlong Wang & Zhiqin Ying & Jingming Zheng & Xin Li & Zhipeng Zhang & Chuanxiao Xiao & Ying Chen & Ming Wu & Zhenhai Yang & Jingsong Sun & Jia-Ru Xu & Jiang Sheng & Yuheng Zeng & Xi Yang & Guichuan X, 2023. "Long-chain anionic surfactants enabling stable perovskite/silicon tandems with greatly suppressed stress corrosion," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    2. Yingjie Tang & Peng Jin & Yan Wang & Dingwei Li & Yitong Chen & Peng Ran & Wei Fan & Kun Liang & Huihui Ren & Xuehui Xu & Rui Wang & Yang (Michael) Yang & Bowen Zhu, 2023. "Enabling low-drift flexible perovskite photodetectors by electrical modulation for wearable health monitoring and weak light imaging," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    3. Yujie Luo & Kaikai Liu & Liu Yang & Wenjing Feng & Lingfang Zheng & Lina Shen & Yongbin Jin & Zheng Fang & Peiquan Song & Wanjia Tian & Peng Xu & Yuqing Li & Chengbo Tian & Liqiang Xie & Zhanhua Wei, 2023. "Dissolved-Cl2 triggered redox reaction enables high-performance perovskite solar cells," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    4. Dong-Hyeok Kim & Seung-Je Woo & Claudia Pereyra Huelmo & Min-Ho Park & Aaron M. Schankler & Zhenbang Dai & Jung-Min Heo & Sungjin Kim & Guy Reuveni & Sungsu Kang & Joo Sung Kim & Hyung Joong Yun & Jin, 2024. "Surface-binding molecular multipods strengthen the halide perovskite lattice and boost luminescence," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    5. Khan, Firoz & Rezgui, Béchir Dridi & Khan, Mohd Taukeer & Al-Sulaiman, Fahad, 2022. "Perovskite-based tandem solar cells: Device architecture, stability, and economic perspectives," Renewable and Sustainable Energy Reviews, Elsevier, vol. 165(C).
    6. Xiang, Huimin & Liu, Pengyun & Ran, Ran & Wang, Wei & Zhou, Wei & Shao, Zongping, 2022. "Two-dimensional Dion-Jacobson halide perovskites as new-generation light absorbers for perovskite solar cells," Renewable and Sustainable Energy Reviews, Elsevier, vol. 166(C).
    7. Kaikai Liu & Yujie Luo & Yongbin Jin & Tianxiao Liu & Yuming Liang & Liu Yang & Peiquan Song & Zhiyong Liu & Chengbo Tian & Liqiang Xie & Zhanhua Wei, 2022. "Moisture-triggered fast crystallization enables efficient and stable perovskite solar cells," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    8. Dongdong Xu & Zhiming Gong & Yue Jiang & Yancong Feng & Zhen Wang & Xingsen Gao & Xubing Lu & Guofu Zhou & Jun-Ming Liu & Jinwei Gao, 2022. "Constructing molecular bridge for high-efficiency and stable perovskite solar cells based on P3HT," Nature Communications, Nature, vol. 13(1), pages 1-8, December.
    9. Shaobing Xiong & Fuyu Tian & Feng Wang & Aiping Cao & Zeng Chen & Sheng Jiang & Di Li & Bin Xu & Hongbo Wu & Yefan Zhang & Hongwei Qiao & Zaifei Ma & Jianxin Tang & Haiming Zhu & Yefeng Yao & Xianjie , 2024. "Reducing nonradiative recombination for highly efficient inverted perovskite solar cells via a synergistic bimolecular interface," Nature Communications, Nature, vol. 15(1), pages 1-9, December.

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