Emerging Xene-Based Single-Atom Catalysts: Theory, Synthesis, and Catalytic Applications

In recent years, the emergence of novel 2D monoelemental materials (Xenes), e.g., graphdiyne, borophene, phosphorene, antimonene, bismuthene, and stanene, has exhibited unprecedented potentials for their versatile applications as well as addressing new discoveries in fundamental science. Owing to their unique physicochemical, optical, and electronic properties, emerging Xenes have been regarded as promising candidates in the community of single-atom catalysts (SACs) as single-atom active sites or support matrixes for significant improvement in intrinsic activity and selectivity. In order to comprehensively understand the relationships between the structure and property of Xene-based SACs, this review represents a comprehensive summary from theoretical predictions to experimental investigations. Firstly, theoretical calculations regarding both the anchoring of Xene-based single-atom active sites on versatile support matrixes and doping/substituting heteroatoms at Xene-based support matrixes are briefly summarized. Secondly, controlled synthesis and precise characterization are presented for Xene-based SACs. Finally, current challenges and future opportunities for the development of Xene-based SACs are highlighted. The controlled synthesis, precise characterization, and catalytic applications of emerging Xene-based single-atom catalysts from theoretical predictions to experimental investigations are the focus of this review. It is envisioned that this timely review can shed light on new designs of high-performance Xene-related single-atom nanoplatforms for next-generation chemical and energy conversion.image

Automated summary

This review comprehensively summarizes the relationship between the structure and property of Xene-based single-atom catalysts (SACs) through theoretical predictions, experimental investigations, controlled synthesis, and precise characterization. It also highlights the current challenges and future opportunities in the development of Xene-based SACs.