Local structural environment of single-atom catalysts,Inorganic Chemistry Frontiers

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Local structural environment of single-atom catalysts
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2023-11-09 , DOI: 10.1039/d3qi01576a
Zheng Chen _{1,

2} , Lili Han _{1,

2}

Affiliation

Single-atom catalysts (SACs) provide opportunities for bridging the gap between homogeneous and heterogeneous catalysis, facilitating the precise structural identification of the catalytically active sites, and offering new opportunities for interpreting the structure–performance relationship from the atomistic perspective. In view of this, the background of catalysis, catalysts and the history of the development of SACs are introduced in sequence. Subsequently, the correlation between the structure and performance of SACs is reviewed with respect to aspects of their local structural environment including metal single-atoms (MSA), amount of MSA loaded, electronegativity, oxidation state, coordination atom, and coordination number. By combining theoretical and experimental analyses, a deep understanding of the correlation between the structure and catalytic mechanism will shed light on the optimization and design of SACs toward high-efficiency chemical energy conversion. Finally, the whole review of SACs is summarized and future prospects are outlined.

中文翻译：

单原子催化剂的局部结构环境

单原子催化剂（SAC）为弥合均相催化和非均相催化之间的差距提供了机会，促进催化活性位点的精确结构识别，并为从原子角度解释结构-性能关系提供了新的机会。鉴于此，依次介绍了催化的背景、催化剂以及SAC的发展历史。随后，从金属单原子（MSA）、MSA负载量、电负性、氧化态、配位原子和配位数等局部结构环境方面回顾了SAC的结构和性能之间的相关性。通过结合理论和实验分析，深入了解结构和催化机制之间的相关性将为SACs的优化和设计提供线索，以实现高效化学能量转换。最后，对SAC的整体回顾进行了总结并展望了未来的前景。

更新日期：2023-11-09

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