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RESEARCH PAPER · Advanced Science · 2024

Machine‐Learning‐Assisted Discovery of Mechanosynthesized Lead‐Free Metal Halide Perovskites for the Oxidative Photocatalytic Cleavage of Alkenes

Yonghao Xiao, Khokan Choudhuri, Adisak Thanetchaiyakup, Wei Xin Chan, Xinwen Hu, Mansour Sadek, Ying Hern Tam, Ryan Guanying Loh, Sharifah Nadhirah Binte Shaik Mohammed, Kendric Jian Ying Lim, Ju Zheng Ten, Felipe Garcı́a, Vijila Chellappan, Tej Salil Choksi, Yee‐Fun Lim, Han Sen Soo

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Machine‐Learning‐Assisted Discovery of Mechanosynthesized Lead‐Free Metal Halide Perovskites for the Oxidative Photocatalytic Cleavage of AlkenesOriginalMetal Halide Perovskites for Photocatalysis: Performance and Mechanistic Studies15Lead-free perovskites for next-generation applications: a comprehensive computational and data-driven review27Moving mechanochemistry forward: reimagining inorganic chemistry through mechanochemistry6Eco-friendly lead-free metal halide perovskites: Progress and prospects in multifunctional applications17Advances in perovskite nanomaterials: Synthesis and catalytic applications in energy and environmental remediation17Halide Perovskite Photocatalysts for Clean Fuel Production and Organic Synthesis: Opportunities and Challenges70Lead-Free Metal Halide Double Perovskite-Photoelectrocatalyzed Activation of C(sp3)-H Bonds and Alkylation of Alkenes and Azo Compounds10From Formability to Bandgap: Machine Learning Accelerates the Discovery and Application of Perovskite Materials28Single Crystals of Vanadium Oxides as a Lens for Understanding Structural and Electronic Phase Transformations, Ion Transport, Chemo-Mechanical Coupling, and Electrothermal Neuronal Emulation13Material Modification Strategies for High-Performance Perovskite Optoelectronics: From Solar Cells to Photocatalysis4One-Step Rapid Growth of Cs 2 AgBiBr 6 /Cs 3 Bi 2 Br 9 /Cs 2 AgBiBr 6 Heterojunction Flakes with Enhanced Photocatalytic Ability toward the Photodegradation of Organic Pollutants5Selective and Sustainable Oxidation of Allyl Alcohol in Water Using a TS-1 Catalyst in Continuous Flow: A Machine-Learning-Driven Approach3Machine-learning-assisted descriptor identification for catalysts in catalytic ozonation of VOCs1S-scheme structure of novel 3D/2D lead-free perovskite/g-C3N4 photocatalyst for improved bisphenol A degradation under visible light3Design concept and solar-to-energy applications of CuPbSbS3 from photovoltaics to photocatalysis8Advances and prospects of lead-free metal halide perovskites for solar hydrogen fuel generation2Design Concept of Metal Sulfide Photocatalyst for Efficient Photocatalytic Hydrogen Evolution31Heavy Halide Nanomaterials as Next-Generation Hosts for Lanthanide Upconversion10CuInS2-based S-scheme heterojunction photocatalysts for efficient photocatalytic hydrogen evolution9Halide Perovskites for Photo(electro)catalytic Sustainable Energy: Recent Advances and Challenges1Interpretable ML-Driven High-Throughput Screening Reveals Orbital–Site–Spin Synergy for Cross-Field-Enhanced Multiferroic Perovskite Photocatalyst Design0

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  1. Metal Halide Perovskites for Photocatalysis: Performance and Mechanistic Studies

    Chemistry - An Asian Journal · 2024-09-11

    Adisak Thanetchaiyakup, Mansour Sadek, Gábor Báti, Yonghao Xiao, Xingyu Wang, Jingcheng Yang, Zhenpeng Liu, Shun‐Yi Wang, Han Sen Soo

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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. Moving mechanochemistry forward: reimagining inorganic chemistry through mechanochemistry

    RSC Mechanochemistry · 2025-01-01

    Felipe Garcı́a, Mamoru Senna, Vladimir Sepelák

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  4. Eco-friendly lead-free metal halide perovskites: Progress and prospects in multifunctional applications

    Journal of Alloys and Compounds · 2025-04-12

    Maria Mukhtar, Burragoni Sravanthi Goud, Zeeshan Ali, Muhammad Waleed Shaid, Bushra Naz, Qurat Ul Ain, Mohammed A. Assiri, Savaş Sönmezoğlu, Altaf Hussain Rajpar, Jae‐Hong Kim, Sikandar Aftab

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  5. Advances in perovskite nanomaterials: Synthesis and catalytic applications in energy and environmental remediation

    International Journal of Hydrogen Energy · 2025-04-28

    Ibrahim Munkaila Abdullahi, Abdurrashid Haruna, Zakariyya Uba Zango, Abdulhafiz Onimisi Usman, Zulkifli Merican Aljunid Merican, Ibrahim Abdulkadir, Bernard Chukwuemeka Ekeoma, Tawfik Abdo Saleh

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  6. Halide Perovskite Photocatalysts for Clean Fuel Production and Organic Synthesis: Opportunities and Challenges

    Advanced Materials · 2025-05-09

    Siddharth Singh, Zeinab Hamid, Ramavath Babu, Sergio Gómez‐Graña, Xiaowen Hu, Iain A. McCulloch, Robert L. Z. Hoye, Vishal Govind Rao, Lakshminarayana Polavarapu

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  7. Lead-Free Metal Halide Double Perovskite-Photoelectrocatalyzed Activation of C(sp3)-H Bonds and Alkylation of Alkenes and Azo Compounds

    JACS Au · 2025-06-16

    Adisak Thanetchaiyakup, Mansour Sadek, Wei Xin Chan, Yuqing Qian, Jingcheng Yang, Gábor Báti, Yonghao Xiao, Han Sen Soo

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  8. From Formability to Bandgap: Machine Learning Accelerates the Discovery and Application of Perovskite Materials

    ACS Nano · 2025-08-06

    Shiyan Wang, Chaopeng Liu, Weiyao Hao, Yanling Zhuang, Xianjun Zhu, Longlu Wang, Xianghong Niu, Shujuan Liu, Bing Chen, Qiang Zhao

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  9. Single Crystals of Vanadium Oxides as a Lens for Understanding Structural and Electronic Phase Transformations, Ion Transport, Chemo-Mechanical Coupling, and Electrothermal Neuronal Emulation

    Chemical Reviews · 2025-10-23

    John D. Ponis, Shruti Hariyani, George Agbeworvi, S. Chakraborty, Victor H. Balcorta, James Pérez-Vázquez, Benjamin L. Rogers, Yu-Hsiang Chiang, A.M. Jessel, Timothy D. Brown, Richard Stanley Williams, Matt Pharr, Xiaofeng Qian, Sarbajit Banerjee

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  10. Material Modification Strategies for High-Performance Perovskite Optoelectronics: From Solar Cells to Photocatalysis

    ACS Applied Energy Materials · 2025-11-14

    Luyang Zhang, Bin Guan, Lei Zhu, Tiankui Zhu, Zhongqi Zhuang, Junyan Chen, Xuehan Hu, Chenyu Zhu, Sikai Zhao, Junjie Gao, Kaiyou Shu, Hongtao Dang, Yuan Li, L.X. Xu, Wenbo Zeng, Shuai Chen, Linhui Wang, Can Zhu, Jiaming He, Qinghan Xian, Mingyang Yang, Zhen Huang

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  11. One-Step Rapid Growth of Cs 2 AgBiBr 6 /Cs 3 Bi 2 Br 9 /Cs 2 AgBiBr 6 Heterojunction Flakes with Enhanced Photocatalytic Ability toward the Photodegradation of Organic Pollutants

    ACS Applied Materials & Interfaces · 2025-11-17

    Jiaqi Duan, Dong Ding, Xiaoteng Li, Wei Wang, Kaiyan Wu, Honglei Fan, Hongliang Liu, Lei Jiang

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  12. Selective and Sustainable Oxidation of Allyl Alcohol in Water Using a TS-1 Catalyst in Continuous Flow: A Machine-Learning-Driven Approach

    ACS Sustainable Chemistry & Engineering · 2025-12-05

    Kallum Hiten Mehta, Riko I Made, Stefanos Agrotis, Ivan Paul Parkin, Gopinathan Sankar, Albertus Denny Handoko

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  13. Machine-learning-assisted descriptor identification for catalysts in catalytic ozonation of VOCs

    Physical Chemistry Chemical Physics · 2026-01-01

    Qi Jiang, Shaobo Chen, Jianxing Liu, Hua Tong, Zhongjun Xu

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  14. S-scheme structure of novel 3D/2D lead-free perovskite/g-C3N4 photocatalyst for improved bisphenol A degradation under visible light

    Journal of environmental chemical engineering · 2026-01-26

    Ashkan Miri, Yonghao Xiao, Wei Xin Chan, Haoran Guan, Prashanth Venkatesan Venkatesan, Han Sen Soo, Yang-hsin Shih

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  15. Design concept and solar-to-energy applications of CuPbSbS3 from photovoltaics to photocatalysis

    Coordination Chemistry Reviews · 2026-02-01

    Yuhao Liu, Xinjie Chen, Gai Li, Minghui Wang, Miaomiao Yang, Jing Li, Xiaodong Shi, Yonghao Xiao, Fengyun Su, Xinlong Tian

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  16. Advances and prospects of lead-free metal halide perovskites for solar hydrogen fuel generation

    Transition Metal Chemistry · 2026-02-10

    Alberto A. Boretti

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  17. Design Concept of Metal Sulfide Photocatalyst for Efficient Photocatalytic Hydrogen Evolution

    Nano-Micro Letters · 2026-03-02

    Qizhi Gao, Xinlong Zheng, Jiaxin Lin, Jiadi Zhai, Fan Yang, Xinjie Chen, Mengdi Wang, Miaomiao Yang, Jing Li, Xiaodong Shi, Yu Xiao, Xinlong Tian, Yuhao Liu

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  18. Heavy Halide Nanomaterials as Next-Generation Hosts for Lanthanide Upconversion

    Journal of the American Chemical Society · 2026-03-05

    Artiom Skripka

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  19. CuInS2-based S-scheme heterojunction photocatalysts for efficient photocatalytic hydrogen evolution

    Coordination Chemistry Reviews · 2026-04-30

    Jiadi Zhai, Jiaxin Lin, Fan Yang, Jing Li, Xiaodong Shi, Yonghao Xiao, Xinlong Tian, Yuhao Liu

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  20. Halide Perovskites for Photo(electro)catalytic Sustainable Energy: Recent Advances and Challenges

    ChemSusChem · 2026-07-16

    R G Yin, Zhiyan Ying, Yinzhu Shu, Sijie Yang, Shudan Chi, Guangya Diao, Zi Wang, W Z Wang, Yuzhe Chen, Haoying Han, Guohua Gong, Yunfan Qiu, Liwei Xiong, Liang Huang

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  21. Interpretable ML-Driven High-Throughput Screening Reveals Orbital–Site–Spin Synergy for Cross-Field-Enhanced Multiferroic Perovskite Photocatalyst Design

    ACS Catalysis · 2026-08-26

    Yuezhu Wang, Wanyue Zhang, Huixin Guan, Di Wu, Peilun Qiu, Chuqiao Hu, Ce Fu, Jianqiao Liu, Junsheng Wang, Hanmin Zhang

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