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Elucidating reaction pathways in CO2 electroreduction: Case study of Ag and Cu2O@Ag catalysts
Journal of Catalysis ( IF 7.3 ) Pub Date : 2022-11-28 , DOI: 10.1016/j.jcat.2022.11.035
Jiaxin Li, Tong Shi, Fuli Tian, Shangpeng Liu, Qiyuan Fan, Yanxin Wu, Min Sun, Heng Zhang, Yanqiu Lei, Fenrong Liu, Shanghong Zeng

CO2 electroreduction is a prospective avenue to produce carbon-based fuels, yet atomic-level insights on the mechanistic origin of catalytic selectivity remains elusive. Taking the Ag and Cu2O@Ag electrocatalysts as examples, Fourier-transform infrared spectroscopy in conjunction with theoretical calculations reveal that the hollow-nanostructured Ag promotes CO production through a lower energy barrier of the rate-limiting *CO2 to *COOH, while the Cu2O-Ag boundaries in the honeycomb-like Cu2O@Ag reinforce CO2 physisorption and chemisorption on the catalyst surface. The interfaces of Cu2O@Ag facilitate CO hydrogenation and Csingle bondC coupling, opening alternative reaction pathways toward CH4 and C2H4. More broadly, this study provides insights to develop effective electrocatalysts in CO2 electroreduction and beyond.



中文翻译:

阐明 CO2 电还原中的反应途径:Ag 和 Cu2O@Ag 催化剂的案例研究

CO 2电还原是生产碳基燃料的潜在途径,但对催化选择性的机制起源的原子级见解仍然难以捉摸。以 Ag 和 Cu 2 O@Ag 电催化剂为例,傅里叶变换红外光谱结合理论计算表明,空心纳米结构 Ag 通过较低的限速 *CO 2到 *COOH 的能垒促进 CO 的产生,而蜂窝状Cu 2 O@Ag中的Cu 2 O-Ag边界加强了CO 2在催化剂表面的物理吸附和化学吸附。Cu 2 O@Ag的界面促进 CO 加氢和 C单键C 偶联,打开对 CH 4和 C 2 H 4的替代反应途径。更广泛地说,这项研究为开发 CO 2电还原及其他领域的有效电催化剂提供了见解。

更新日期:2022-11-30
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