选择性
材料科学
星团(航天器)
铜
催化作用
立方体(代数)
电催化剂
结晶学
化学
物理化学
电化学
电极
计算机科学
有机化学
数学
组合数学
程序设计语言
作者
Li‐Juan Liu,Zhiyuan Wang,Zhao‐Yang Wang,Rui Wang,Shuang‐Quan Zang,Thomas C. W. Mak
标识
DOI:10.1002/anie.202205626
摘要
Atomically precise copper clusters are highly desirable catalysts for electrocatalytic CO2 reduction reaction (CO2 RR) and provide an ideal platform for elaborating structure-activity relationships. However, systematic comparative studies of Cu cluster isomers for electrocatalytic CO2 RR are lacking because they are challenging to synthesize. A group of structurally precise Cu8 cluster isomers with different core structures (cube- and ditetrahedron-shaped) were developed and investigated for highly active and selective CO2 reduction. Electrocatalytic measurements showed that the ditetrahedron-shaped Cu8 cluster exhibited a higher FEHCOOH (≈92 %) at -1.0 V and higher selectivity than the cube-shaped cluster. Theoretical investigations revealed different levels of competitiveness with the hydrogen evolution reaction on the respective core-shaped Cu8 clusters and decreased free energies for the adsorbed HCOO* intermediates on the ditetrahedron-shaped Cu8 clusters.
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