上海科技大学知识管理系统

Monatomic catalysts demonstrate exceptional activity in CO2 hydrogenation for mitigating the greenhouse effect and achieving carbon neutrality goals. However, single-atom catalysts are limited by having only one type of active site, resulting in unsatisfactory activity and selectivity. In this work, a heteronuclear dual-atom catalyst (CuCoDA) is successfully synthesized using a dual-anchoring method and applied to CO2 hydrogenation. The synergistic effect between Cu and Co atoms results in a remarkable CO selectivity of 99.1%, with a CO2 conversion rate of 28.1%. The experimental results and theoretical calculations demonstrate that the incorporation of Co into the Cu monatomic catalyst enhances the adsorption of CO2 and H-2 on the CuCoDA surface throughout the reaction, thereby significantly promoting CO2 conversion. Simultaneously, the cooperative effect minimizes the adsorption of CO* on the CuCoDA surface and inhibits the formation of *CHO (a key intermediate for methane generation), which suppresses the further hydrogenation of CO2. This results in an extremely high selectivity of CO. This study provides a general strategy for constructing dual-heteronuclear catalysts incorporating multiple metal species and highlights the critical importance of synergistic interactions between adjacent single atoms in the development of advanced catalysts.