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Controlled C-C coupling of CO on borophene as a non-metallic catalyst: A DFT study on solvent water effects
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DOI：10.1016/j.vacuum.2025.114702.png)
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Abstract
En 中文
• In the process of CO2 electrocatalytic reduction to C2 products, the solvent water is crucial for the formation of C2O2 intermediates from CO. • The adsorption mechanism of CO and C2O2 intermediates on the surface of metal-free catalyst borophene. • The mechanism of direct C-C coupling of CO on the surface of borophene to generate C2O2 intermediate has been explored.
Keywords:
CO2 electrocatalytic reduction
C2 products
borophene
C-C coupling
C2O2 intermediates
Journal
IF:
3.9
Papers:
1.4W
Citations:
2.5W