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Electrochemical Energy Reviews ›› 2022, Vol. 5 ›› Issue (3): 6-.doi: 10.1007/s41918-022-00164-4

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Rational Design of Atomic Site Catalysts for Electrocatalytic Nitrogen Reduction Reaction: One Step Closer to Optimum Activity and Selectivity

Yiran Ying1, Ke Fan1, Jinli Qiao2, Haitao Huang1   

  1. 1. Department of Applied Physics and Research Institute for Smart Energy, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, China;
    2. State Key Laboratory for Modifcation of Chemical Fibers and Polymer Materials, College of Environmental Science and Engineering, Donghua University, 2999 Renmin North Road, Shanghai 201620, China
  • 收稿日期:2021-03-03 修回日期:2021-06-01 出版日期:2022-09-20 发布日期:2022-10-25
  • 通讯作者: Jinli Qiao,E-mail:qiaojl@dhu.edu.cn;Haitao Huang,E-mail:aphhuang@polyu.edu.hk E-mail:qiaojl@dhu.edu.cn;aphhuang@polyu.edu.hk
  • 基金资助:
    This work was supported by the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. PolyU152140/19E) and the Hong Kong Polytechnic University. The authors appreciate the support of the "Scientific and Technical Innovation Action Plan" Hong Kong, Macao and Taiwan Science & Technology Cooperation Project of Shanghai Science and Technology Committee (19160760600).

Rational Design of Atomic Site Catalysts for Electrocatalytic Nitrogen Reduction Reaction: One Step Closer to Optimum Activity and Selectivity

Yiran Ying1, Ke Fan1, Jinli Qiao2, Haitao Huang1   

  1. 1. Department of Applied Physics and Research Institute for Smart Energy, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, China;
    2. State Key Laboratory for Modifcation of Chemical Fibers and Polymer Materials, College of Environmental Science and Engineering, Donghua University, 2999 Renmin North Road, Shanghai 201620, China
  • Received:2021-03-03 Revised:2021-06-01 Online:2022-09-20 Published:2022-10-25
  • Contact: Jinli Qiao,E-mail:qiaojl@dhu.edu.cn;Haitao Huang,E-mail:aphhuang@polyu.edu.hk E-mail:qiaojl@dhu.edu.cn;aphhuang@polyu.edu.hk
  • Supported by:
    This work was supported by the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. PolyU152140/19E) and the Hong Kong Polytechnic University. The authors appreciate the support of the "Scientific and Technical Innovation Action Plan" Hong Kong, Macao and Taiwan Science & Technology Cooperation Project of Shanghai Science and Technology Committee (19160760600).

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摘要： The electrocatalytic nitrogen reduction reaction (NRR) has been one of the most intriguing catalytic reactions in recent years, providing an energy-saving and environmentally friendly alternative to the conventional Haber-Bosch process for ammonia production. However, the activity and selectivity issues originating from the activation barrier of the NRR intermediates and the competing hydrogen evolution reaction result in the unsatisfactory NH3 yield rate and Faradaic efficiency of current NRR catalysts. Atomic site catalysts (ASCs), an emerging group of heterogeneous catalysts with a high atomic utilization rate, selectivity, and stability, may provide a solution. This article undertakes an exploration and systematic review of a highly significant research area:the principles of designing ASCs for the NRR. Both the theoretical and experimental progress and state-of-the-art techniques in the rational design of ASCs for the NRR are summarized, and the topic is extended to double-atom catalysts and boron-based metal-free ASCs. This review provides guidelines for the rational design of ASCs for the optimum activity and selectivity for the electrocatalytic NRR.

关键词: Nitrogen reduction reaction, Atomic site catalysts, Design principles, Activity, Selectivity

Abstract: The electrocatalytic nitrogen reduction reaction (NRR) has been one of the most intriguing catalytic reactions in recent years, providing an energy-saving and environmentally friendly alternative to the conventional Haber-Bosch process for ammonia production. However, the activity and selectivity issues originating from the activation barrier of the NRR intermediates and the competing hydrogen evolution reaction result in the unsatisfactory NH3 yield rate and Faradaic efficiency of current NRR catalysts. Atomic site catalysts (ASCs), an emerging group of heterogeneous catalysts with a high atomic utilization rate, selectivity, and stability, may provide a solution. This article undertakes an exploration and systematic review of a highly significant research area:the principles of designing ASCs for the NRR. Both the theoretical and experimental progress and state-of-the-art techniques in the rational design of ASCs for the NRR are summarized, and the topic is extended to double-atom catalysts and boron-based metal-free ASCs. This review provides guidelines for the rational design of ASCs for the optimum activity and selectivity for the electrocatalytic NRR.

Key words: Nitrogen reduction reaction, Atomic site catalysts, Design principles, Activity, Selectivity

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