催化作用
过电位
材料科学
氧化还原
电化学
Atom(片上系统)
贵金属
纳米技术
对偶(语法数字)
金属
选择性
光化学
化学工程
组合化学
化学
无机化学
物理化学
电极
有机化学
计算机科学
冶金
艺术
文学类
工程类
嵌入式系统
作者
Yueyue Shao,Qunhui Yuan,Jia Zhou
出处
期刊:Small
[Wiley]
日期:2023-06-02
卷期号:19 (40)
被引量:1
标识
DOI:10.1002/smll.202303446
摘要
Abstract Developing highly active and selective electrocatalysts for electrochemical reduction of CO 2 can reduce environmental pollution and mitigation of greenhouse gas emission. Owing to maximal atomic utilization, the atomically dispersed catalysts are broadly adopted in CO 2 reduction reaction (CO 2 RR). Dual‐atom catalysts (DACs), with more flexible active sites, distinct electronic structures, and synergetic interatomic interactions compared to single‐atom catalysts (SACs), may have great potential to enhance catalytic performance. Nevertheless, most of the existing electrocatalysts have low activity and selectivity due to their high energy barrier. Herein, 15 electrocatalysts are explored with noble metallic (Cu, Ag, and Au) active sites embedded in metal–organic hybrids (MOHs) for high‐performance CO 2 RR and studied the relationship between SACs and DACs by first‐principles calculation. The results indicated that the DACs have excellent electrocatalytic performance, and the moderate interaction between the single‐ and dual‐atomic center can improve catalytic activity in CO 2 RR. Four among the 15 catalysts, including (CuAu), (CuCu), Cu(CuCu), and Cu(CuAu) MOHs inherited a capability of suppressing the competitive hydrogen evolution reaction with favorable CO overpotential. This work not only reveals outstanding candidates for MOHs‐based dual‐atom CO 2 RR electrocatalysts but also provides new theoretical insights into rationally designing 2D metallic electrocatalysts.
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