催化作用
密度泛函理论
法拉第效率
电化学
吸附
Atom(片上系统)
选择性
碳纤维
碳原子
联轴节(管道)
化学
材料科学
无机化学
物理化学
计算化学
电极
有机化学
计算机科学
嵌入式系统
冶金
戒指(化学)
复合数
复合材料
作者
Guodong Sun,Yanan Cao,Deqing Li,Mingzhen Hu,Xinhu Liang,Zhe Wang,Zengjian Cai,Fengyi Shen,Bozhen Chen,Kebin Zhou
标识
DOI:10.1016/j.apcata.2023.119025
摘要
Electrochemical reduction of CO2 to multi-carbon products is very attractive yet particularly challenging due to the low efficiency of C-C coupling over currently used electrocatalysts. In this work, we report a dual-atom catalyst (Cu2/NC) capable of selectively promoting electro-reduction of CO2 to C2H4. The Faradaic efficiency of CO2-to-C2H4 over the Cu2/NC is up to ∼34.9% with a current density of 33.6 mA·cm−2. By contrast, its Cu single-atom counterpart only generates CO without forming C2H4. The density functional theory (DFT) calculations reveal that the Cu-Cu sites largely promote the adsorption of *CO and reduce the energy barrier of C-C coupling between the adsorbed *CO relative to that of the single Cu sites, which accounts for the high C2H4 selectivity of the Cu2/NC.
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