Constructing a square-like copper cluster to boost C–C coupling for CO<sub>2</sub> electroreduction to ethylene
Tiantian Zhao, Tingyu Yan, Yuting Sun, Zhongxu Wang, Qinghai Cai, Jingxiang Zhao, Zhongfang Chen
Abstract
By DFT computations, we proposed Cu 5 @MoS 2 —an anchored Cu 5 cluster on defective MoS 2 —as a promising catalyst for CO 2 -to-ethylene conversion. With distinctive square-like sites, Cu 5 @MoS 2 demonstrates remarkable activity and selectivity, particularly in alkaline conditions.
Topics & Concepts
CopperEthyleneCluster (spacecraft)CatalysisSelectivityCoupling (piping)Square (algebra)Materials scienceComputationInorganic chemistryChemistryCrystallographyMetallurgyOrganic chemistryComputer scienceMathematicsGeometryProgramming languageAlgorithmCO2 Reduction Techniques and CatalystsIonic liquids properties and applicationsCarbon dioxide utilization in catalysis