Catalytic CO₂ Conversion to C1 Chemicals over Single‐Atom Catalysts

Abstract Carbon dioxide, as an abundant and nontoxic C1 resource, can be extensively applied to produce C1 building blocks via direct and indirect routes. On account of the stable electronic structure and high activation energy of CO₂, the most challenging problem of CO₂ conversion is the rational design of low‐cost and efficient catalysts with attractive performance. Single‐atom catalysts (SACs) with atomically dispersed metal atoms, strong metal–support interaction, and tunable/unsaturated coordination environment offer a potential choice by achieving maximum atomic utilization and lowering the CO₂ activation barrier. Furthermore, the geometric and electronic structure of SACs can be easily regulated by tuning the coordination environment of single atoms, which significantly affects their catalytic performance. In this review, therefore, a comprehensive review of thermocatalytic CO₂ conversion to C1 chemicals over SACs is presented. Specifically, the physiochemical and electronic properties, synthesis methods, and characterization technologies are introduced. Thereafter, an overview of catalytic performance and mechanism of SACs is described during thermocatalytic CO₂ conversion to C1 chemicals. Finally, the main limitations of current studies on CO₂ conversion to C1 chemicals over SACs are summarized, and simultaneouslyperspectives on the future are proposed, in order to provide a guidance for decarbonizing the industries and cycling greenhouse gases.