Atomically Dispersed Cu Active Centers: Local Structure and Mechanism Modulation for Carbon Dioxide Reduction

Abstract Reducing carbon dioxide （CO₂）to high‐value products using green renewable energy is a promising approach for addressing energy and greenhouse effect issues. Consequently, electrocatalytic CO₂ reduction reaction (CO₂RR) technology has become a current research hotspot. Since the discovery of the high activity and selectivity of copper in the CO₂RR, atomically dispersed Cu catalysts have garnered widespread attention due to their efficient atom utilization, unique electronic structure, and outstanding catalytic performance. However, a great challenge remains in providing rational catalyst design principles to achieve the regulation of product distribution. A clear understanding of catalytic materials and an in‐depth interpretation of the mechanism as well as the elucidation of the design strategy and research progress toward different products are the keys to building the understanding for solving the above problem. Therefore, this review starts with the introduction of advanced characterization techniques to reveal catalyst structure and reaction mechanisms. Then, various optimization strategies and the applications of atomically dispersed Cu catalysts in producing various high‐value targeted products are summarized and discussed. Finally, the perspectives on atomically dispersed Cu catalysts in the CO₂RR field toward future development are offered.