From synthesis to properties: expanding the horizons of machine learning in nanomaterials research

Shanhui Diao, Qiong Wu, Shimei Li, Guochen Xu, Xiangling Ren, Longfei Tan, Guihua Jiang, Peng Song and Xianwei Meng

Mater. Horiz., 2025, 12, 4133
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Advancing electrocatalytic reactions through mapping key intermediates to active sites via descriptors

Xiaowen Sun, Rafael B. Araujo, Egon Campos dos Santos, Yuanhua Sang, Hong Liu and Xiaowen Yu

Chem. Soc. Rev., 2024, 53, 7392
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Machine learning-assisted optimization design for enhanced oxygen evolution reaction based on vanadium-doped nickel–cobalt layered double hydroxides

Chandrasekaran Pitchai, Ting-Yu Lo, Hou-Chien Chang, Hung-Chung Li, Ming-Der Yang and Chih-Ming Chen

J. Mater. Chem. A, 2025, 13, 28907
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Navigating the energy crisis: design principles and challenges in the development of high-performance catalysts for electrolytic water splitting

Quan Zhang, Yifei Li, Fang Luo and Zehui Yang

Chem. Commun., 2025, 61, 10747
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A Review of Graphene Oxide and Reduced Graphene Oxide Applications: Multifunctional Nanomaterials for Sustainable Environmental and Energy Devices

Ikbal Adrian Milka, Bijak Riyandi Ahadito, Desnelli Desnelli, Nurlisa Hidayati and Muhammad Said

C, 2026, 12, 11
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Rational Design of Carbon‐Based Electrocatalysts for H2O2 Production by Machine Learning and Structural Engineering

Rong Ma, Gao‐Feng Han, Feng Li and Yunfei Bu

Advanced Energy Materials, 2025, 15
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Redefining the Stability of Water Oxidation Electrocatalysts: Insights from Materials Databases and Machine Learning

Raul A. Marquez, Erin Elizabeth Oefelein, Thuy Vy Le, Kenta Kawashima, Lettie A. Smith and C. Buddie Mullins

ACS Materials Lett., 2024, 6, 2905
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Layered double hydroxide-based nanomaterials for supercapacitors and batteries: Strategies and mechanisms

Chuan Jing, Shengrong Tao, Bin Fu, Lu Yao, Faling Ling, Xiaolin Hu and Yuxin Zhang

Progress in Materials Science, 2025, 150, 101410
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Artificial Intelligence and Generative Models for Materials Discovery: A Review

Albertus Denny Handoko and Riko I Made

World Sci. Ann. Rev. Funct. Mater., 2025, 03
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Composition driven machine learning for unearthing high-strength lightweight multi-principal element alloys

Mengxing Li, Xiu Kun Quek, Hongli Suo, Delvin Wuu, Jing Jun Lee, Wei Hock Teh, Fengxia Wei, Riko I. Made, Dennis Cheng Cheh Tan, Si Rong Ng, Siyuan Wei, Andre Kai Yuan Low, Kedar Hippalgaonkar, Yee-Fun Lim, Pei Wang and Chee Koon Ng

Journal of Alloys and Compounds, 2024, 1008, 176517
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Advances of nanostructured metal oxide as photoanode in photoelectrochemical (PEC) water splitting application

Aini Ayunni Mohd Raub, Raihana Bahru, Siti Nur Ashakirin Mohd Nashruddin and Jumril Yunas

Heliyon, 2024, 10, e39079
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Machine Learning-Optimized Overpotential in Zr-Doped CeO2 Electrocatalysts for Enhanced OER Efficiency

Wajid Sajjad, Eman A Ayob, Abdul Sami, Farhan Zafar, Saifullah, Naeem Akhtar, Muhammad Ali Khan, Muhammad Usman Ur Rehman, Rana Abdul Shakoor and Mohammed A. Amin

Energy Fuels, 2025, 39, 8652
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A Paradigm Shift: From Batch Processing to Flow Chemistry

Kallum Hiten Mehta, Riko I Made, Ivan P. Parkin, Gopinathan Sankar and Albertus Denny Handoko

Small, 2025, 21
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Opportunities and perspectives of artificial intelligence in electrocatalysts design for water electrolysis

Qing Wang, Lizhen Wu, Qiang Zheng and Liang An

Energy and AI, 2025, 22, 100606
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Machine learning optimized synthesis of Ag/Nitrodopamine-MWCNT hybrid for durable and high-performance OER catalysis

Muhammad Asad, Inas A. Ahmed, Farhan Zafar, Aleena Imran, Muhammad Ali Khan, Naeem Akhtar, Muhammad Athar and Zahid Shafiq

Electrochimica Acta, 2025, 541, 147398
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Selective and Sustainable Oxidation of Allyl Alcohol in Water Using a TS-1 Catalyst in Continuous Flow: A Machine-Learning-Driven Approach

Kallum Hiten Mehta, Riko I Made, Stefanos Agrotis, Ivan P. Parkin, Gopinathan Sankar and Albertus D. Handoko

ACS Sustainable Chem. Eng., 2025, 13, 21458
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Machine Learning-Guided Design of High-Entropy FeCoCrMnCu Layered Double Hydroxides for Efficient Oxygen Evolution in Alkaline Media

Chandrasekaran Pitchai, Chao-Fang Huang, Ting-Yu Lo, Hung-Chung Li, Ming-Der Yang and Chih-Ming Chen

ACS Catal., 2026, 16, 4502
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Photo-electrocatalytic water splitting for hydrogen evolution using Ni-based LDH catalysts: Progress and perspectives

Sense Mametja, Olga K. Mmelesi, Liberty L. Mguni, Joshua Gorimbo and Xinying Liu

Materials Today Communications, 2026, 52, 115106
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Surface functional group engineering of Ti-based MXenes for enhanced bifunctional oxygen electrocatalysis

Huamin Gao, Jun Ji, Wenxin Yan, Baohang Diao and Dechun Li

Journal of Alloys and Compounds, 2026, 1064, 187888
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Chemical perspectives on synthesis, functionalization, artificial intelligence, and energy storage applications of layered double hydroxides-based nanomaterials: A comprehensive review

Jai Kumar, Nadeem Hussain Solangi, Rana R. Neiber, Fangyuan Bai, Bharat Prasad Sharma, Victor Charles, Pengfei Zhai, Zhuanpei Wang and Xiaowei Yang

Coordination Chemistry Reviews, 2025, 537, 216705
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Modification of CoFe Prussian Blue Structure by N2 Plasma for Enhanced Electrocatalysis

Jiaming Zhao, Guangrui Zhang, Lele Gao, Jing Zhao, Yuanbo Wang and Guoling Li

Materials, 2026, 19, 1580
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From resource endowment to energy superpower: Aligning policy, industry, and AI-powered R&D to accelerate Australia’s clean energy transition

G.Q. Max Lu

Nexus, 2026, 3, 100131
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Technological roadmap for sustainable production of biomethane integrated with hydrogen from municipal solid waste

Janaina A. S. de Martins, Daniel C. L. e Penalva de Santos and Ronney Arismel Mancebo Boloy

Clean Techn Environ Policy, 2026, 28
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Machine Learning‐Driven Nanoscale Synthesis for Electrocatalytic Performance: From Data‐Driven Methodologies to Closed‐Loop Optimization

Tianyi Gao, Honghao Huang and Yang Liu

Advanced Materials, 2025
DOI: 10.1002/adma.202508263

Revolutionizing layered double hydroxides for adsorption, catalysis and energy storage through artificial intelligence and machine learning: A critical review

Priyadarshi Roy Chowdhury, Himani Medhi, Krishna G. Bhattacharyya and Chaudhery Mustansar Hussain

Coordination Chemistry Reviews, 2026, 560, 217886
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Machine Learning-Guided Optimization of Bimetallic Oxide Nanostructures for Enhanced OER Electrocatalytic Activity

Ammara Fatima, Muhammad Asad, Ghada Eid, Farhan Zafar, Merfat M. Alsabban, Mehar Muhammad Hamza Maqbool, Naeem Akhtar, Muhammad Ali Khan, Cong Yu and Mohamed M. El-Toony

Energy Fuels, 2025, 39, 5877
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Design and Application of Electrocatalyst Based on Machine Learning

Yulan Gu, Hailong Zhang, Zhen Xu, Rui Ren, Xiangyi Kong, Yafu Wang, Houen Zhu, Dongdong Xue, Yali Zhang, Yuzhu Ma, Dongyuan Zhao and Jiangwei Zhang

Interdisciplinary Materials, 2025, 4, 456
DOI: 10.1002/idm2.12249

Shining light on atomic vacancies in electrocatalysts for boosted water splitting

Mingpeng Chen, Huachuan Sun, Qingjie Lu, Dequan Li, Di Liu, Tong Zhou, Baoye Zi, Hongshun Zheng, Bin Xiao, Tianwei He, Jianhong Zhao, Yumin Zhang, Jin Zhang, Feng Liu, Hao Cui, Hui Pan and Qingju Liu

Chemical Engineering Journal, 2024, 497, 154235
DOI: 10.1016/j.cej.2024.154235