Catalytic science, including heterogeneous catalysis, homogeneous catalysis, and enzyme catalysis, is involved in various fields of production and life, including energy, pharmaceuticals, environmental protection and so on. Thereinto, heterogeneous catalysis, which is usually driven by metal-based catalysts, effectively reduces production costs due to its easy recovery nature and thus plays a dominant role in industrial production. However, the distribution of active sites in heterogeneous catalysts is uncontrollable, and it is difficult to utilize the structure-activity relationship to adjust the catalyst performance. Through reducing the size of the nonmetallic catalyst and increasing the exposure of the active site, the catalytic performance can be significantly improved. Thus, design and synthesis of catalysts on atomic scale is an efficient strategy to improve catalytic activity.In 2011, Zhang et al. prepared atomically dispersed Pt species and proposed the concept of single-atom (SA) catalyst for the first time, defining single-atom catalysts (SACs) as a supported catalyst in which metal species are dispersed in the form of isolated atoms. [1] Compared with traditional catalysts, SACs have an atomic utilization efficiency of 100%, and can achieve high catalytic performance under low metal load, which greatly reduces the production cost. [2] Shi et al. loaded only 4.1 wt% Pt SAs on the surface of MoSe 2 , showing excellent alkaline electrocatalytic hydrogen evolution performance. [3] In addition, SACs have the properties of reusability and controllable structure, which combine the advantages of homogeneous and heterogeneous catalysis. [4,5] Usually, single-metal sites have uniform and adjustable coordination structures, showing the superiority of catalyzing specified reactions and improving product selectivity. By changing the activation temperature, Ren et al. synthesized Pt SAs with different electronic environment and oxidation state on Fe 2 O 3 in a controllable manner. [6] Moreover, Pd SAs with different coordination are synthesized by replacing different organic ligands, and the Pd@POL-1 coordinated with organic phosphine showed high catalytic selectivity for the hydrosilylation reaction of internal alkyne. [7] Due to the high cohesive energy, individual metal atoms tend to aggregate to form nanoclusters. [8] To obtain stable and highly dispersed metal atoms, it is usually necessary to anchor the isolated metal atoms onto a substrate, where strong charge transfer would occur through the bonding of the metal atoms to the reactive sites on the substrate. Metal oxide, metal-organic framework, molybdenum disulfide, graphene, and so on are common carriers that can be used to fix metal atoms. [9][10][11][12][13] Among them, 2D materials show good application prospects due to large specific surface area. [14,15] As a new type of 2D materials, metallic carbides, nitrides, or carbonic nitrides (MXenes), with the general structure of M n þ 1 X n T x , where M is transition metal (TM), X is carbon/nitrogen elemen...