文献类型：期刊文献

英文题名：Nearly 100% CO Selectivity for CO2 Reduction via Synergistic Engineering of Heteronuclear CuCo Dual Atoms

作者：Zhu, Xiaoxiao[1];An, Xin[1];Yuan, Cong[1];Ye, Yubo[1];Wang, Zhengcheng[1];Zhu, Wen[2];Ling, Wenhui[2];Jiang, Yongjun[3,4];Xie, Shuo[3,4];Dai, Sheng[3,4];Yang, Bo[2];Tian, Chengcheng[1,5];Wang, Hualin[1]

机构：[1]East China Univ Sci & Technol, Natl Engn Lab Ind Wastewater Treatment, Shanghai 200237, Peoples R China;[2]ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China;[3]East China Univ Sci & Technol, Inst Fine Chem, Sch Chem & Mol Engn, Key Lab Adv Mat, Shanghai 200237, Peoples R China;[4]East China Univ Sci & Technol, Inst Fine Chem, Feringa Nobel Prize Scientist Joint Res Ctr, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China;[5]Shanghai Inst Pollut Control & Ecol Secur, Shanghai 200092, Peoples R China

年份：2025

卷号：17

期号：17

起止页码：25348

外文期刊名：ACS APPLIED MATERIALS & INTERFACES

收录：;EI(收录号：20251518192459);WOS:【SCI-EXPANDED(收录号:WOS:001459190700001)】；

基金：This work was finically supported by the National Natural Science Foundation of China (NSFC, Grant No. 52170109), the Shanghai Science and Technology Innovation Plan (22DZ1208600), and the Innovation Program of Shanghai Municipal Education Commission (2023ZKZD41). Additional support was provided by the Frontiers Science Center for Materiobiology and Dynamic Chemistry and the Feringa Nobel Prize Scientist Joint Research Center at East China University of Science and Technology. We also thank the HPC Platform of ShanghaiTech University for computing time.

语种：英文

外文关键词：heteronuclear dual atoms; CO2 hydrogenation; CuCoDA catalyst; synergistic effect; inhibition of deep hydrogenation

摘要：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.