Journal
CHEMICAL COMMUNICATIONS
Volume 58, Issue 5, Pages 709-712Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cc06735d
Keywords
-
Categories
Funding
- National Natural Science Foundation of China [21991152, 21991150]
- Shanghai Rising-Star Program [20QA1406800]
- ShanghaiTech University
- HPC Platform of ShanghaiTech University
Ask authors/readers for more resources
The potential-dependent C-C coupling mechanism for C-2 formation in the electrocatalytic reduction of CO2 has been studied on several defective Cu(100) surfaces, revealing a nonmonotonic trend between effective free energy barriers and average coordination numbers. Further structural analysis indicates that Cu surface strain in parallel and vertical directions with respect to the C-C bond has distinct impacts on modulating the barriers.
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
