Xiong Zhaokun, Pan Zhicheng, Wu Zelin, Huang Bingkun, Lai Bo, Liu Wen
The Key Laboratory of Water and Sediment Sciences, College of Environmental Sciences and Engineering, Peking University, Ministry of Education, Beijing 100871, China.
Sichuan Province Engineering Technology Research Center of Water Safety and Water Pollution Control, Haitian Water Group, Chengdu 610065, China.
Molecules. 2024 Aug 6;29(16):3719. doi: 10.3390/molecules29163719.
Single-atom catalysts (SACs) have attracted extensive attention due to their unique catalytic properties and wide range of applications. Advanced characterization techniques, such as energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, scanning electron microscopy, and X-ray absorption fine-structure spectroscopy, have been used to investigate the elemental compositions, structural morphologies, and chemical bonding states of SACs in detail, aiming at unraveling the catalytic mechanism. Meanwhile, theoretical calculations, such as quantum chemical calculations and kinetic simulations, were used to predict the catalytic reaction pathways, active sites, and reaction kinetic behaviors of SACs, providing theoretical guidance for the design and optimization of SACs. This review overviews advanced characterization techniques and theoretical calculations for SACs in Fenton-like chemistry. Moreover, this work highlights the importance of advanced characterization techniques and theoretical calculations in the study of SACs and provides perspectives on the potential applications of SACs in the field of environmental remediation and the challenges of practical engineering.
单原子催化剂（SACs）因其独特的催化性能和广泛的应用而受到广泛关注。先进的表征技术，如能量色散X射线光谱、X射线光电子能谱、透射电子显微镜、扫描电子显微镜和X射线吸收精细结构光谱，已被用于详细研究SACs的元素组成、结构形态和化学键合状态，旨在揭示其催化机理。同时，量子化学计算和动力学模拟等理论计算被用于预测SACs的催化反应途径、活性位点和反应动力学行为，为SACs的设计和优化提供理论指导。本文综述了类芬顿化学中SACs的先进表征技术和理论计算。此外，这项工作强调了先进表征技术和理论计算在SACs研究中的重要性，并展望了SACs在环境修复领域的潜在应用以及实际工程面临的挑战。
