Single-atom catalysts (SACs) can not only maximize the metal atom utilization efficiency, but also show drastically improved catalytic performance for various important catalytic processes. Insights into the working principles of SACs provide rational guidance to design and prepare advanced catalysts. Many factors have been claimed to affect the performance of SACs, which makes it very challenging to clarify the correlation between the catalytic performance and physicochemical characteristics of SACs. Oxide-supported SACs are one of the most extensively explored systems. In this minireview, some latest developments on the determining factors of the stability, activity and selectivity of SACs on oxide supports are overviewed. Discussed also are the reaction mechanisms for different systems and methods that are employed to correlate the properties with the catalyst structures at the atomic level. In particular, a recently proposed surface free energy approach is introduced to fabricate well-defined modelled SACs that may help address some key issues in the development of SACs in the future.
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