• Nano-Micro Letters
  • Vol. 15, Issue 1, 227 (2023)
Jin Li1、†, Naiteng Wu1、†, Jian Zhang2, Hong-Hui Wu3、4、*, Kunming Pan5, Yingxue Wang6、**, Guilong Liu1, Xianming Liu1、***, Zhenpeng Yao7、8, and Qiaobao Zhang9、****
Author Affiliations
  • 1College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, People’s Republic of China
  • 2New Energy Technology Engineering Lab of Jiangsu Province, College of Science, Nanjing University of Posts and Telecommunications (NUPT), Nanjing 210023, People’s Republic of China
  • 3School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, People’s Republic of China
  • 4Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 8588, USA
  • 5Henan Key Laboratory of High-Temperature Structural and Functional Materials, National Joint Engineering Research Center for Abrasion Control and Molding of Metal Materials, Henan University of Science and Technology, Luoyang 471003, People’s Republic of China
  • 6National Engineering Laboratory for Risk Perception and Prevention, Beijing, 100041, People’s Republic of China
  • 7Center of Hydrogen Science, Shanghai Jiao Tong University, Shanghai 200000, People’s Republic of China
  • 8State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200000, People’s Republic of China
  • 9State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Materials, Xiamen University, Xiamen 361005, People’s Republic of China
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    DOI: 10.1007/s40820-023-01192-5 Cite this Article
    Jin Li, Naiteng Wu, Jian Zhang, Hong-Hui Wu, Kunming Pan, Yingxue Wang, Guilong Liu, Xianming Liu, Zhenpeng Yao, Qiaobao Zhang. Machine Learning-Assisted Low-Dimensional Electrocatalysts Design for Hydrogen Evolution Reaction[J]. Nano-Micro Letters, 2023, 15(1): 227 Copy Citation Text show less

    Abstract

    Efficient electrocatalysts are crucial for hydrogen generation from electrolyzing water. Nevertheless, the conventional "trial and error" method for producing advanced electrocatalysts is not only cost-ineffective but also time-consuming and labor-intensive. Fortunately, the advancement of machine learning brings new opportunities for electrocatalysts discovery and design. By analyzing experimental and theoretical data, machine learning can effectively predict their hydrogen evolution reaction (HER) performance. This review summarizes recent developments in machine learning for low-dimensional electrocatalysts, including zero-dimension nanoparticles and nanoclusters, one-dimensional nanotubes and nanowires, two-dimensional nanosheets, as well as other electrocatalysts. In particular, the effects of descriptors and algorithms on screening low-dimensional electrocatalysts and investigating their HER performance are highlighted. Finally, the future directions and perspectives for machine learning in electrocatalysis are discussed, emphasizing the potential for machine learning to accelerate electrocatalyst discovery, optimize their performance, and provide new insights into electrocatalytic mechanisms. Overall, this work offers an in-depth understanding of the current state of machine learning in electrocatalysis and its potential for future research.
    Jin Li, Naiteng Wu, Jian Zhang, Hong-Hui Wu, Kunming Pan, Yingxue Wang, Guilong Liu, Xianming Liu, Zhenpeng Yao, Qiaobao Zhang. Machine Learning-Assisted Low-Dimensional Electrocatalysts Design for Hydrogen Evolution Reaction[J]. Nano-Micro Letters, 2023, 15(1): 227
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