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Abstract <p>Single-atom catalysts (SACs) exhibit tremendous potential in electrocatalysis because of their high intrinsic activity and remarkable selectivity arising from their tunable electronic structures and maximal atom utilization. A high density of SACs is fundamental for enhancing the activity and durability during electrochemical reactions. In this review, we first summarize the leading strategies for the synthesis of metal single-atom electrocatalysts and the use of machine learning in the design and screening of SACs, with a focus on maximizing the metal loading through deliberate temperature control, followed by the application of such high-loading SACs to a range of important reactions in electrochemical energy technologies, such as the oxygen reduction reaction (ORR), H<sub>2</sub>O<sub>2</sub> electrosynthesis, the oxygen evolution reaction (OER), the hydrogen evolution reaction (HER), the carbon dioxide reduction reaction (CO<sub>2</sub>RR), the nitrate reduction reaction (NO<sub>3</sub>RR), and the reactions in lithium-sulfur batteries. The review concludes with a perspective highlighting the key challenges and future research directions in the development and application of high-density SACs.</p> Graphical Abstract <p>High-density metal sites are crucial for enhancing the performance of single-atom catalysts (SACs) during electrocatalytic reactions. This review systematically summarizes the principal synthesis strategies for high-density SACs, outlines the application of machine learning-assisted designing and screening SACs, and discusses their applications in electrocatalytic energy storage and conversion systems.</p>

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Recent Progress in and Future Perspectives on High-Density Single-Atom Electrocatalysts

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年12月1日

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  • Yifan Zhang,
  • Ting He,
  • Jing Chen,
  • Dingjie Pan,
  • Xiaojuan Wang,
  • Shaowei Chen,
  • Xiaoping Ouyang

摘要

Abstract

Single-atom catalysts (SACs) exhibit tremendous potential in electrocatalysis because of their high intrinsic activity and remarkable selectivity arising from their tunable electronic structures and maximal atom utilization. A high density of SACs is fundamental for enhancing the activity and durability during electrochemical reactions. In this review, we first summarize the leading strategies for the synthesis of metal single-atom electrocatalysts and the use of machine learning in the design and screening of SACs, with a focus on maximizing the metal loading through deliberate temperature control, followed by the application of such high-loading SACs to a range of important reactions in electrochemical energy technologies, such as the oxygen reduction reaction (ORR), H2O2 electrosynthesis, the oxygen evolution reaction (OER), the hydrogen evolution reaction (HER), the carbon dioxide reduction reaction (CO2RR), the nitrate reduction reaction (NO3RR), and the reactions in lithium-sulfur batteries. The review concludes with a perspective highlighting the key challenges and future research directions in the development and application of high-density SACs.

Graphical Abstract

High-density metal sites are crucial for enhancing the performance of single-atom catalysts (SACs) during electrocatalytic reactions. This review systematically summarizes the principal synthesis strategies for high-density SACs, outlines the application of machine learning-assisted designing and screening SACs, and discusses their applications in electrocatalytic energy storage and conversion systems.