Single‐Atom Long‐Range Interaction: Basic Principles and Applications

Abstract Single‐atom catalysis involves loading the active metal onto the carrier's surface as a single‐atom. This atom is primarily bonded to the carrier surface through hetero‐atom bonding. It is important to note that the coordination environment of the metal atoms may not be the same when each dispersed active metal atom has an identical coordination environment on the carrier's surface. The utilization of single‐atom catalysts (SACs) doesn't strictly imply that a solitary metal atom with zero valency functions as the active core. Singular atoms can also engage in distant interactions with other atoms or clusters of atoms on the substrate, like electron transfer, and frequently demonstrate specific charges. The main reason for the high activity of the catalyst is the remote (i.e., long‐range) interaction of the active atom with the surrounding coordination atoms. For this reason, the study of the mechanism of long‐range interactions between multiple single‐atom sites and between single‐atom sites and atomic cluster sites has become an important and urgent task in the design and regulation of single‐atom catalyst performance.