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RESEARCH PAPER · Cell Reports Physical Science · 2024

Exploration of highly stable and highly efficient new lead-free halide perovskite solar cells by machine learning

Chenyang Zhu, Yiming Liu, Donghua Wang, Zhikang Zhu, Peng Chao Zhou, Yibo Tu, Gaoyuan Yang, Hongyu Chen, Yue Zang, Jinxia Du, Wensheng Yan

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Exploration of highly stable and highly efficient new lead-free halide perovskite solar cells by machine learningOriginalFirst-principles study of photovoltaic and thermoelectric properties of AgBiSCl21Lead-free perovskites for next-generation applications: a comprehensive computational and data-driven review27Machine learning for predicting and improving perovskite properties0Improving the performance of AgCdF3-based perovskite solar cells using machine learning-driven adjustment of active layer and charge transport materials with SCAPS-1D19Structural Distortions and Ionic Diffusion Mechanisms in the Quasi-1D Copper Halide Perovskite CsCu2I34Machine Learning‐Driven Perovskite Research from Experimental Exploration to Industrial Development6Data-Driven Perovskite Design via High-Throughput Simulation and Machine Learning10Development of High-Efficiency Perovskite Solar Cells and Their Integration with Machine Learning3Machine Learning for Stability Enhancement in Perovskite Solar Cells: A Pathway to Commercial Viability0Crystal phase and composition synergy for optimized optoelectronic performance and carrier dynamics in Rb 2 Au 2 X 6 (X = Cl, I) perovskites0Data-driven materials discovery for inverted perovskite solar cells: machine learning in screening, design, and performance optimization0Machine learning-enhanced novel design and performance optimization of M 3 SbI 3 (M = Ba and Ca) based dual absorber perovskite solar cells5Research progress on the application of machine learning in perovskite solar cells0Machine Learning for Designing Perovskites and Perovskite‐Inspired Solar Materials: Emerging Opportunities and Challenges7Machine learning applications in the design, optimization, and manufacturing of perovskite solar cells3Spectroscopic Limited Maximum Efficiency-First Progressive Screening of Halide Double Perovskites via First Principle-Constrained Machine Learning2Density functional theory-based screening of lead-free Ca₃BiI₃ as a perovskite-inspired solar absorber for photovoltaic applications0High-throughput Materials-to-Device Discovery of Lead-free Double Perovskites Beyond Radiative-limit Metrics0

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  1. First-principles study of photovoltaic and thermoelectric properties of AgBiSCl2

    Acta Physica Sinica · 2025-01-01

    Sihang WANG, CHEN Meng-Han, Liping Zhang

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  2. Lead-free perovskites for next-generation applications: a comprehensive computational and data-driven review

    Materials Advances · 2025-01-01

    Syeda Kinza Fatima, Reem H. Alzard, Riffat Amna, Mohammed H.H. Alzard, Kaibo Zheng, Mohamed A. Abdellah

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  3. Machine learning for predicting and improving perovskite properties

    Semiconductors and semimetals · 2025-01-01

    Xuesi Liu, Hualin Zhan

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  4. Improving the performance of AgCdF3-based perovskite solar cells using machine learning-driven adjustment of active layer and charge transport materials with SCAPS-1D

    Inorganic Chemistry Communications · 2025-06-08

    Avijit Ghosh, Al Shahriar Zishan, Mahbuba Moumita, Yedluri Anil Kumar, Anup Kumar Roy, Siful Islam, Shahan Ahmed, Hasanur Zaman Anonto, Asma Tabassum Happy, Md. Shameem Ahsan, Halema A. Alrafai, Abeer A. Hassan

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  5. Structural Distortions and Ionic Diffusion Mechanisms in the Quasi-1D Copper Halide Perovskite CsCu2I3

    Inorganic Chemistry · 2025-07-28

    Sumit Ranjan Maity, Yuiga Nakamura

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  6. Machine Learning‐Driven Perovskite Research from Experimental Exploration to Industrial Development

    Solar RRL · 2025-08-21

    Zhuo Feng, Xu Zhu, Meng Hao, Antai Yang, Jixin Tang, Chengquan Zhong, Kailong Hu, Jiakai Liu, Jingzi Zhang, Xi Lin

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  7. Data-Driven Perovskite Design via High-Throughput Simulation and Machine Learning

    Processes · 2025-09-24

    Yidi Wang, Dan Sun, Bei Zhao, Tianyu Zhu, Chengcheng Liu, Zixuan Xu, Tianhang Zhou, Chunming Xu

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  8. Development of High-Efficiency Perovskite Solar Cells and Their Integration with Machine Learning

    Nanomaterials · 2025-10-22

    Shihao Gao, Ruowen Peng, Kuankuan Ren, Lina Yu, Qi Jiang, Zhanwei Shen, Shizhong Yue, Zhijie Wang

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  9. Machine Learning for Stability Enhancement in Perovskite Solar Cells: A Pathway to Commercial Viability

    Progress in Photovoltaics Research and Applications · 2025-12-24

    Shen Wang, Weiren Zhao, Minjia Zhou, Tanghao Liu, Yian Wang, Yian Wang, Run Shi, Yunfan Wang, Yunfan Wang, Zhuoqiong Zhang

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  10. Crystal phase and composition synergy for optimized optoelectronic performance and carrier dynamics in Rb 2 Au 2 X 6 (X = Cl, I) perovskites

    Physical Chemistry Chemical Physics · 2026-01-01

    Xifeng Fu, Xue Li, Chang Liu, Jin Rong Liu, Sai Guo, Zi‐Ang Nan, Peng Fei Gao, Lingyi Meng

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  11. Data-driven materials discovery for inverted perovskite solar cells: machine learning in screening, design, and performance optimization

    Journal of Materials Chemistry A · 2026-01-01

    Xing Qiang Zhao, Xiaohang Hao, Min Wang, Yu Zhang, Junjie Zhou, Bingbing Fan, Meicheng Li

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  12. Machine learning-enhanced novel design and performance optimization of M 3 SbI 3 (M = Ba and Ca) based dual absorber perovskite solar cells

    RSC Advances · 2026-01-01

    Md. Anwer Hossain, Md Rasidul Islam, Abdul Mosawir Quraishi, Sobhi M. Gomha, Magdi E.A. Zaki, Md Masud Rana

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  13. Research progress on the application of machine learning in perovskite solar cells

    Chinese Science Bulletin (Chinese Version) · 2026-01-27

    Aili Wang, Haoran Zhang, Kaihuai Du, Lvzhou Li, Jianning Ding

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  14. Machine Learning for Designing Perovskites and Perovskite‐Inspired Solar Materials: Emerging Opportunities and Challenges

    Advanced Science · 2026-03-24

    Yangfan Zhang, Yiming Xia, Ali Shakiba, Hongrui Zhang, Xiaojing Hao, Priyank V. Kumar, Mahesh P. Suryawanshi

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  15. Machine learning applications in the design, optimization, and manufacturing of perovskite solar cells

    Solar Energy · 2026-04-09

    Peter I. Udenze, Hao Dong, Dawen Li

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  16. Spectroscopic Limited Maximum Efficiency-First Progressive Screening of Halide Double Perovskites via First Principle-Constrained Machine Learning

    ACS Applied Energy Materials · 2026-05-20

    Bowen Liu, Hairui Zhou, Zuyun Chen, Zuyun Chen, Jun Li, Xu Fang, Z Chen, Z Chen, Xiaolin Liu, Hongyu Liu, Lanze Xiao, Jia Lin

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  17. Density functional theory-based screening of lead-free Ca₃BiI₃ as a perovskite-inspired solar absorber for photovoltaic applications

    Applied Physics A · 2026-09-11

    Mohamed El Bouanounou, Nour El Haq El Macouti, Abdelmajid Assila, E.K. Hlil, Mouhaydine Tlemçani, Y. Boughaleb, Abdеlowahеd Hajjaji, Said Laasri

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  18. High-throughput Materials-to-Device Discovery of Lead-free Double Perovskites Beyond Radiative-limit Metrics

    JACS Au · 2026-10-07

    Yuanxin Wang, Lingyi Meng, Wei Zhuang

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