Potential-dependent C-C coupling mechanism and activity of C-2 formation in the electrocatalytic reduction of CO2 on defective Cu(100) surfaces
2022-01-16
发表期刊CHEMICAL COMMUNICATIONS (IF:4.3[JCR-2023],4.4[5-Year])
ISSN1359-7345
EISSN1364-548X
发表状态已发表
DOI10.1039/d1cc06735d
摘要

The potential-dependent C-C coupling mechanism for C-2 formation in the electrocatalytic reduction of CO2 is studied on several defective Cu(100) surfaces, and a nonmonotonic trend is observed between the effective free energy barriers and the average coordination numbers. Further structural analysis reveals that Cu surface strain along the parallel and vertical directions with respect to the C-C bond would have distinct impacts on the modulation of the barriers.

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收录类别SCI ; SCIE ; EI
语种英语
资助项目National Natural Science Foundation of China[21991152,21991150] ; Shanghai Rising-Star Program[20QA1406800]
WOS研究方向Chemistry
WOS类目Chemistry, Multidisciplinary
WOS记录号WOS:000732005000001
出版者ROYAL SOC CHEMISTRY
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文献类型期刊论文
条目标识符https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/138711
专题物质科学与技术学院_博士生
物质科学与技术学院_PI研究组_杨波组
通讯作者Yang, Bo
作者单位
Shanghai Tech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China
第一作者单位物质科学与技术学院
通讯作者单位物质科学与技术学院
第一作者的第一单位物质科学与技术学院
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GB/T 7714
Liu, Hong,Yang, Bo. Potential-dependent C-C coupling mechanism and activity of C-2 formation in the electrocatalytic reduction of CO2 on defective Cu(100) surfaces[J]. CHEMICAL COMMUNICATIONS,2022.
APA Liu, Hong,&Yang, Bo.(2022).Potential-dependent C-C coupling mechanism and activity of C-2 formation in the electrocatalytic reduction of CO2 on defective Cu(100) surfaces.CHEMICAL COMMUNICATIONS.
MLA Liu, Hong,et al."Potential-dependent C-C coupling mechanism and activity of C-2 formation in the electrocatalytic reduction of CO2 on defective Cu(100) surfaces".CHEMICAL COMMUNICATIONS (2022).
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