From lab-scale to industrialization: atomically M–N–C catalysts for the oxygen reduction reaction

Tianyou Zhao, Jianjiang Wang, Yanrui Wei, Zechao Zhuang, Yuhai Dou, Jiarui Yang, Wen-Hao Li and Dingsheng Wang

Energy Environ. Sci., 2025, 18, 3462
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Machine learning-driven design of single-atom catalysts for carbon dioxide valorization to high-value chemicals: a review of photocatalysis, electrocatalysis, and thermocatalysis

Xiangyu Wen, Xiao Geng, Guandong Su, Yizheng Li, Qidong Li, Yuxuan Yi and Lifen Liu

Green Chem., 2025, 27, 4898
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A revolutionary paradigm in chemistry and materials science research: self-driving laboratories

Jiaxuan Qiu, Liwen Zhu, Zhe Feng, Zhongzhong Luo and Longlu Wang

Chem. Commun., 2025, 61, 10026
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Expediting field-effect transistor chemical sensor design with neuromorphic spiking graph neural networks

Rodrigo P. Ferreira, Rui Ding, Fengxue Zhang, Haihui Pu, Claire Donnat, Yuxin Chen and Junhong Chen

Mol. Syst. Des. Eng., 2025, 10, 345
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Machine learning-driven breakthroughs in water electrolysis and supercapacitors

Diab Khalafallah, Fuming Lai, Hao Huang, Jue Wang, Xiaoqing Wang, Shengfu Tong and Qinfang Zhang

Mater. Chem. Front., 2025, 9, 2322
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Recent progress of selectivity regulation and reaction mechanism of atomically dispersed metal catalysts for oxygen reduction electrocatalysis

Shiyu Zhang, Minjie Yao, Zanyu Chen, Kang Liao, Xin Wang, Wenbin Hu and Xiaopeng Han

J. Mater. Chem. A, 2025, 13, 13602
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Data-guided design of double-atom catalysts for enhanced electrocatalytic performance

Chenyang Wei, Wenbo Mu, Hongyuan Zhang, Zhenghui Liu and Tiancheng Mu

J. Mater. Chem. A, 2025
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Review of carbon-based catalysts for electrochemical nitrate reduction and green ammonia synthesis

Guanting Liao, Richard L. Smith Jr., Haixin Guo and Xinhua Qi

Green Chem., 2024, 26, 11797
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Unlocking the potential of chemical-assisted water electrolysis for green hydrogen production

Jiwoo Lee, Sol A. Lee, Tae Hyung Lee and Ho Won Jang

Ind. Chem. Mater., 2025, 3, 277
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A brief overview of deep generative models and how they can be used to discover new electrode materials

Anders Hellman

Current Opinion in Electrochemistry, 2025, 49, 101629
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Machine learning-driven prediction and optimization of selective glycerol electrocatalytic reduction into propanediols

Muhammad Harussani Moklis, Cries Avian, Cheng Shuo, Sasipa Boonyubol and Jeffrey S. Cross

Journal of Electroanalytical Chemistry, 2025, 988, 119150
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Parametric Optimization of Transition Metal-Based Nanocomposite Electrocatalysts for Oxygen Evolution Reaction in Alkaline Media

Vedasri Bai Khavala, Abhijai Velluva, Adhithyan Kathiravan, Harish Kuruva, Chandan Singh Khavala, B. S. Murty and Tiju Thomas

Electrocatalysis, 2025, 16, 696
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Machine Learning as a “Catalyst” for Advancements in Carbon Nanotube Research

Guohai Chen and Dai-Ming Tang

Nanomaterials, 2024, 14, 1688
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“Electricity”‐Assisted Catalytic Solar‐to‐Fuel Processes

Pengwei Jia, Yutang Yu, Tong Chen and Hongwei Huang

Angew Chem Int Ed, 2025, 64
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Electrocatalysis informatics assisted design of highly disordered ternary alloy aerogel for efficient methanol oxidation

Yichi Guan, Jingxiu Liu, Pengcheng Liu, Jin Zhang, Yanyi Liu, Jingwen Zhang, Zhonghong Xia, Xijun Liu and Jia He

Nano Research Energy, 2025
DOI: 10.26599/NRE.2025.9120167

Advancing electrocatalyst discovery through the lens of data science: State of the art and perspectives

Xue Jia, Tianyi Wang, Di Zhang, Xuan Wang, Heng Liu, Liang Zhang and Hao Li

Journal of Catalysis, 2025, 447, 116162
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Modeling, optimization, and thermal management strategies of hydrogen fuel cell systems

Abubakar Unguwanrimi Yakubu, Liu Qingsheng, Meng Kai, Chen Jinwei, Omer Abbaker Ahmed Mohammed, Jiahao Zhao, Qi Jiang, Xuanhong Ye, Junyi Liu, Qinglong Yu, Muhammad Aurangzeb and Shusheng Xiong

Results in Engineering, 2025, 27, 105924
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Oxygen-functionalized carbon catalysts for two-electron oxygen reduction reaction: From active site identification to functionalization strategies

Chang Li, Weisheng Yang, Chaoquan Hu, Yi-Meng Sun and Xiulan Hu

Chemical Engineering Journal, 2025, 520, 165922
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Guided electrocatalyst design through in-situ techniques and data mining approaches

Mingyu Ma, Yuqing Wang, Yanting Liu, Shasha Guo and Zheng Liu

Nano Convergence, 2025, 12
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Highly porous single-phase rhombohedral Cr Rh2−O3 nanofibers expediting oxygen evolution reaction

Taehui Kwon, Kyungmin Kim, Sampath Prabhakaran, Subin Choi, Jiwon Kim, Yeji Yim, Jihyun Park, Hoi Ri Moon, Myung Hwa Kim, Do Hwan Kim and Youngmi Lee

Applied Surface Science Advances, 2025, 28, 100789
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Dual Doping in Precious Metal Oxides: Accelerating Acidic Oxygen Evolution Reaction

Guoxin Ma, Fei Wang, Rui Jin, Bingrong Guo, Haohao Huo, Yulong Dai, Zhe Liu, Jia Liu and Siwei Li

IJMS, 2025, 26, 1582
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Engineering Local Coordination and Electronic Structures of Dual-Atom Catalysts

Xinzhe Li, Xuan Liu, Muzammil Hussain, Jiali Li, Zhongxin Chen, Yiyun Fang, Chenliang Su, Chi He and Jiong Lu

ACS Nano, 2025, 19, 17114
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Machine-learning-assisted design of cathode catalysts for metal-sulfur/oxygen/carbon dioxide batteries

Qi Zhang, Rui Yang, Zhengran Wang, Yifan Li, Fangbing Dong, Junjie Liu, Shenglin Xiong, Aimin Zhang and Jinkui Feng

Energy Storage Materials, 2025, 78, 104261
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Artificial intelligence-driven catalyst design for electrocatalytic hydrogen production: Paradigm innovation and challenges in material discovery

Zhaoyong Jin, Dongxu Gu, Panpan Li, Guilin Ye, Heru Zhu, Kailun Wei, Chunxiang Li, Wenhui Zhong, Wenjie Du and Qing Zhu

Sustainable Chemistry for Energy Materials, 2025, 2, 100010
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Hydrogen encapsulation properties of heteroatoms doped fullerenes: A DFT study for potential hydrogen storage application

Idongesit J. Mbonu, Musa Runde, Destiny E. Charlie and Karwan Wasman Qadir

Diamond and Related Materials, 2025, 152, 111994
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Electrosynthesis of Chemicals from Biomass Glycerol

Haoyuan Chi, Zhanpeng Liang, Jianlong Lin, Dun Han, Sheng Zhang and Xinbin Ma

JACS Au, 2025, 5, 2977
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Artificial intelligence and robotics in the hydrogen lifecycle: A systematic review

Paulina Quintanilla, Ayman Elhalwagy, Lijia Duan, Salman Masoudi Soltani, Chun Sing Lai, Pantea Foroudi, Md Nazmul Huda and Monomita Nandy

International Journal of Hydrogen Energy, 2025, 113, 801
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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
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AI-Driven predicting and optimizing lignocellulosic sisal fiber-reinforced lightweight foamed concrete: A machine learning and metaheuristic approach for sustainable construction

Mohamed Sahraoui, Aissa Laouissi, Yacine Karmi, Abderazek Hammoudi, Mostefa Hani, Yazid Chetbani, Ahmed Belaadi, Ibrahim M.H. Alshaikh and Djamel Ghernaout

Results in Engineering, 2025, 26, 105561
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Engineering Active Sites in Single-Atom Catalysts for Enhanced Oxygen Reduction Reaction: Strategies and Outlook

Xuanzhao Lu, Ziliang Wang, Baozhen Yuan, Linan Zhu, Meikun Shen, Dan Du, Yang Zhou, Wenlei Zhu and Yuehe Lin

ACS Energy Lett., 2025, 3763
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Advance in Novel Device Design and Microenvironment Modulation for Bismuth‐Based CO2‐to‐ Formic Acid Electrocatalysis

Zhenjie Cheng, Zhengjie Yao, Shuyi Kong, Chenglong Qiu, Andrew Barnabas Wong and Jiacheng Wang

Advanced Energy Materials, 2025
DOI: 10.1002/aenm.202502767

Machine learning in modeling, analysis and control of electrochemical reactors: A tutorial review

Wenlong Wang, Zhe Wu, Dominic Peters, Berkay Citmaci, Carlos G. Morales-Guio and Panagiotis D. Christofides

Digital Chemical Engineering, 2025, 15, 100237
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High-throughput screening of the oxygen reduction/evolution reactions catalyst supported on covalent organic framework doped by main group metal using a constant potential method

Yu Jin, Daoxiong Wu, Wenjun Xiao, Gang Wang, Degui Wang, Jinshun Bi, Mingqiang Liu, Yan Wu, Abuduwayiti Aierken, Xuan Chen, Yaqiong Su and Xuefei Liu

International Journal of Hydrogen Energy, 2024, 94, 1435
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AI in single-atom catalysts: a review of design and applications

Qiumei Yu, Ninggui Ma, Chihon Leung, Han Liu, Yang Ren and Zhanhua Wei

J. Mater. Inf., 2025, 5
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Advancements and challenges in numerical analysis of hydrogen energy storage methods: Techniques, applications, and future direction

Kumaran Kadirgama, Lingenthiran Samylingam, Navid Aslfattahi, Maryam Sadat Kiai, Chee Kuang Kok and T. Yusaf

International Journal of Hydrogen Energy, 2025, 125, 67
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Carbon-based materials derived from green and sustainable chemistry: Current perspectives for electrocatalysis and energy applications

Seyyed Mojtaba Mousavi, Masoomeh Yari Kalashgrani, Ming-Kang Tsai and Wei-Hung Chiang

Renewable and Sustainable Energy Reviews, 2025, 222, 116001
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Advanced carbon as emerging energy materials in lithium batteries: A theoretical perspective

Legeng Yu, Xiang Chen, Nan Yao, Yu‐Chen Gao, Yu‐Hang Yuan, Yan‐Bin Gao, Cheng Tang and Qiang Zhang

InfoMat, 2025, 7
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“Electricity”‐Assisted Catalytic Solar‐to‐Fuel Processes

Pengwei Jia, Yutang Yu, Tong Chen and Hongwei Huang

Angewandte Chemie, 2025, 137
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Self-Supported Electrocatalyst Engineering for Electrochemical Hydrogen Energy Conversion

Jiahao Huang, Wenting Sun, Jinjue Zeng and Xuebin Wang

ACS Appl. Energy Mater., 2025, 8, 9938
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Machine learning assisted Co3O4/NiO popsicle sticks-infused electrospun nanofibers for efficient oxygen evolution reaction

Azza A. Al-Ghamdi, Abdul Sami, Salah M. El-Bahy, Merfat M. Alsabban, Wajid Sajjad, Ahlam I. Al-Sulami, Muhammad Waseem Fazal, Reema H. Aldahiri, Fatimah Mohammad H. Al-Sulami, Muhammad Ali Khan and Naeem Akhtar

Sci Rep, 2025, 15
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Recent advances in electrochemical CO2 reaction to C3 + products

Yiding Yang, Kaili Liu, Md Sakib Hasan Khan, Zhehao Sun and Zongyou Yin

Next Materials, 2025, 8, 100772
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First-principles calculations insight into non-noble-metal bifunctional electrocatalysts for zinc–air batteries

W.W. Zhang, Y. Wang, Y.C. Li, L.L. Sun and X.Y. Zhang

Applied Energy, 2025, 391, 125925
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Recent progress in the design and application of machine learning for the hydrogen evolution reaction in electrocatalysis and photocatalysis

Kaifeng Zhang, Xudong Wang and Yanjing Su

Materials Today Communications, 2025, 46, 112462
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Influence of metal–organic framework structure on the electrocatalytic activity of nickel phosphide nanoparticles synthesized from solvothermal phosphidization

Chao Wang and Yichuang Xing

Ionics, 2025, 31, 6091
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A review of Techno-Economic Analysis and Density Functional Theory modeling of hydrogen fuel cells with Platinum-Based Catalysts for effective deployment in long-range electric vehicles

Thomas Yap and Olusegun Stanley Tomomewo

International Journal of Hydrogen Energy, 2025, 137, 603
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Engineering the regulation strategy of active sites to explore the intrinsic mechanism over single‑atom catalysts in electrocatalysis

Wen Jiang, Qiang Xiao, Weidong Zhu and Fumin Zhang

Journal of Colloid and Interface Science, 2025, 693, 137595
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