In-depth Research on Atomic-Level Issues in the Field of Single-Atom Catalyst Synthesis
Single-atom catalysts (SACs) represent a frontier in catalytic science, offering theoretically 100% atom utilization, tunable electronic structures, and coordination microenvironments, with broad prospects in energy conversion and high-end chemical synthesis. However, atomic-scale challenges—disordered active site distribution, constrained electronic structures, metal atom agglomeration, limited loading capacity, and insufficient coordination environment precision—severely restrict performance optimization and practical deployment. This review systematically analyzes the mechanistic interconnections among these challenges, framing them as a multi-level, coupled systemic problem rather than isolated issues. It summarizes recent regulation strategies including support engineering, coordination regulation, spatial confinement, and dynamic synthesis, emphasizing the value of multi-strategy synergy for performance breakthroughs. Future research directions include developing in-situ characterization with high spatial and temporal resolution, exploring multi-site synergistic catalytic mechanisms, and constructing standardized databases and rational design platforms. These efforts aim to enable large-scale advances in clean energy and green chemical processes.