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RESEARCH PAPER · Physical Chemistry Chemical Physics · 2022

Data-driven generation of mixed X-anion perovskite properties

Junjie Hu, Zhe-Yong Zhang, Guoxiang Zhao, Qiaohong Li, Peng Fei Gao, Rongjian Sa

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Data-driven generation of mixed X-anion perovskite propertiesOriginalAlternative lead-free mixed-valence double perovskites for high-efficiency photovoltaic applications29Comprehensive review of advances in machine-learning-driven optimization and characterization of perovskite materials for photovoltaic devices37Enhancing Optoelectronic Performance of All-Inorganic Double Perovskites via Halogen Doping: Synergistic Screening Strategies and Multiscale Simulations8Harnessing the leading edge: machine learning ventures in chemistry and materials science3Dipole‐Moment‐Knowledge‐Guided Molecular Design for Perovskite Surface Passivation: A Gemma‐Language‐Model and DFT‐Driven Framework1Exploring Ruddlesden–Popper Perovskite Solar Cells Performance Using First‐Principles Calculations, Processing Parameters Simulation, and Machine Learning0

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  1. Alternative lead-free mixed-valence double perovskites for high-efficiency photovoltaic applications

    Journal of Energy Chemistry · 2023-06-10

    Wenbo Li, Yuheng Li, Zilong Zhang, Peng Fei Gao

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  2. Comprehensive review of advances in machine-learning-driven optimization and characterization of perovskite materials for photovoltaic devices

    Journal of Energy Chemistry · 2024-10-02

    Bonghyun Jo, Wenning Chen, Hyun Suk Jung

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  3. Enhancing Optoelectronic Performance of All-Inorganic Double Perovskites via Halogen Doping: Synergistic Screening Strategies and Multiscale Simulations

    Journal of Chemical Theory and Computation · 2024-10-11

    Xifeng Fu, Zhiying Zhao, Sai Guo, Zi‐Ang Nan, Lingyi Meng, Can‐Zhong Lu

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  4. Harnessing the leading edge: machine learning ventures in chemistry and materials science

    Physical Chemistry Chemical Physics · 2025-01-01

    Yuheng Li, Fengming Guo, Shui‐Yang Lien, Abd. Rashid bin Mohd Yusoff, Zhihong Zheng, Jingyun Zhang, Peng Fei Gao

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  5. Dipole‐Moment‐Knowledge‐Guided Molecular Design for Perovskite Surface Passivation: A Gemma‐Language‐Model and DFT‐Driven Framework

    Advanced Theory and Simulations · 2025-11-20

    Tianhui Jiang, Yifeng Gao, Guozhen Liu, Guoxiang Zhao, Junjie Hu, Rongjian Sa, Peng Fei Gao

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  6. Exploring Ruddlesden–Popper Perovskite Solar Cells Performance Using First‐Principles Calculations, Processing Parameters Simulation, and Machine Learning

    Advanced Photonics Research · 2026-07-01

    Nida Amin, Zia Ur Rehman, Javid Ullah, Ibrar Ahmad, Haris Haider, Khizar Hayat, Abdullah Shah, Aseel Smerat, Wejdan Deebani, Said Karim Shah

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