Single‐Metal Alloys

Single-atom catalyst (SAC) is a recently emerging frontier of heterogeneous catalysts, representing human's ability to manipulate microscopic structures. It has exhibited outstanding catalytic performances in various reactions such as alkene hydrogenation, alcohol oxidation, and electrochemical oxygen reduction. The key advantages of SACs are maximizing the utilization rate of scarce elements and enabling accurate theoretical modeling. This chapter categorizes three kinds of single-atom alloys (SAAs), namely, diluted SAAs, single-atom doping alloy, and diatomic alloy. Additionally, their preparation, characterization, and application are summarized. Recent advances in machine learning–guided SAA design and development are also included in this chapter. Finally, we propose future research interests and challenges in the field of SAA catalysts.