XAFS method for the structural characterization of single atom catalysts

IF 10.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Science China Chemistry Pub Date : 2024-09-14 DOI:10.1007/s11426-024-2257-6

Houhong Song, Ziyu Song, Wenting Zhou, Siyu Yao

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引用次数: 0

Abstract

Single atom catalysts (SACs) have become a hot topic in catalysis research due to their 100% atomic utilization, unique coordination environment, and superior catalytic performance. To explain the special catalytic behavior of SACs and maximize the advantages of single atom configurations, understanding the structure-performance relationship of SACs at the atomic level is key to the research. X-ray absorption fine structure (XAFS) provides an irreplaceable method for characterizing SACs, which can be applied to almost all transition-metal SACs and can obtain rich structural information about atomistic structures and electronic properties. In this review, starting from the basic principles of XAFS technology, we discuss the application of extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) spectroscopy in the study of the local coordination, symmetry, hybrid of orbitals, oxidation state, charge transfer and many other structural and electronic properties. After that, we introduce the emerging advanced X-ray spectroscopy methods that improve characterization capabilities and compensate for the shortcomings of traditional XAFS methods in SAC research, and then discuss in-situ and operando experimental techniques for SAC characterization to monitor the dynamic structure of the active sites in the presence of reactants under reaction conditions.

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单原子催化剂结构表征的 XAFS 方法

单原子催化剂（SACs）因其100%的原子利用率、独特的配位环境和优异的催化性能而成为催化研究的热点。要解释单原子催化剂的特殊催化行为，最大限度地发挥单原子构型的优势，了解单原子催化剂在原子水平上的结构-性能关系是研究的关键。X 射线吸收精细结构（XAFS）为表征 SACs 提供了一种不可替代的方法，它几乎可以应用于所有过渡金属 SACs，并能获得丰富的原子结构和电子性质信息。在这篇综述中，我们从 XAFS 技术的基本原理出发，讨论了扩展 X 射线吸收精细结构（EXAFS）和 X 射线吸收近边缘结构（XANES）光谱在局部配位、对称性、轨道混合、氧化态、电荷转移等多种结构和电子性质研究中的应用。随后，我们介绍了新兴的先进 X 射线光谱方法，这些方法提高了表征能力，弥补了传统 XAFS 方法在 SAC 研究中的不足，然后讨论了用于 SAC 表征的原位和操作性实验技术，以监测反应条件下存在反应物时活性位点的动态结构。

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来源期刊

Science China Chemistry CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

14.40

自引率

7.30%

发文量

3787

审稿时长

2.2 months

期刊介绍： Science China Chemistry, co-sponsored by the Chinese Academy of Sciences and the National Natural Science Foundation of China and published by Science China Press, publishes high-quality original research in both basic and applied chemistry. Indexed by Science Citation Index, it is a premier academic journal in the field. Categories of articles include: Highlights. Brief summaries and scholarly comments on recent research achievements in any field of chemistry. Perspectives. Concise reports on thelatest chemistry trends of interest to scientists worldwide, including discussions of research breakthroughs and interpretations of important science and funding policies. Reviews. In-depth summaries of representative results and achievements of the past 5–10 years in selected topics based on or closely related to the research expertise of the authors, providing a thorough assessment of the significance, current status, and future research directions of the field.