As a typical class of single‐atom catalysts (SACs) possessing prominent advantages of high reactivity, high selectivity, high stability, and maximized atomic utilization, emerging metal‐nitrogen‐doped carbon (M‐N‐C) materials, wherein dispersive metal atoms are coordinated to nitrogen atoms doped in carbon nanomaterials, have presented a high promise to replace the conventional metal or metal oxides‐based catalysts. In this work, recent progress in M‐N‐C‐based materials achieved in both theoretical and experimental investigations is summarized and general principles for novel catalysts design from electronic structure modulating are provided. Firstly, the applications and mechanisms on the advantages and challenges of M‐N‐C‐based materials for a variety of sustainable fuel generation and bioinspired reactions, including the oxygen reduction reaction (ORR), oxygen evolution reaction (OER), hydrogen evolution reaction (HER), carbon dioxide reduction reaction (CO₂RR), nitrogen reduction reaction (NRR), and nanozyme reactions are reviewed. Then, strategies toward enhancing the catalytic performance by engineering the nature of metal ion centers, coordinative environment of active centers, carbon support, and their synergistic cooperation, are proposed. Finally, prospects for the rational design of next generation high‐performance M‐N‐C‐based catalysts are outlined. It is expected that this work will provide insights into high‐performance catalysts innovation for sustainable and environmental technologies.

中文翻译：

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金属氮掺杂碳材料作为高效催化剂：进展和合理设计

作为典型的单原子催化剂（SAC）类具有显着优势，包括高反应活性，高选择性，高稳定性和最大化的原子利用率，新兴的金属-氮掺杂碳（M-N-C）材料包括分散的金属原子与掺杂在碳纳米材料中的氮原子配合使用，已有望取代传统的基于金属或金属氧化物的催化剂。在这项工作中，总结了在理论和实验研究中基于M-N-C的材料的最新进展，并提供了通过电子结构调节设计新型催化剂的一般原则。首先，关于基于M‐N‐C的材料在各种可持续燃料生产和生物启发反应中的优势和挑战的应用和机制，₂ RR），氮还原反应（NRR）和纳米酶反应进行了综述。然后，提出了通过工程化金属离子中心的性质，活性中心的协调环境，碳载体及其协同合作来提高催化性能的策略。最后，概述了下一代高性能基于M-N-C的催化剂的合理设计前景。预计这项工作将提供有关可持续和环境技术的高性能催化剂创新的见识。