Fe@χ3-borophene as a promising catalyst for CO oxidation reaction: A first-principles study
A novel single-atom catalyst of Fe adsorbed on χ3-borophene has been proposed as a potential catalyst for CO oxidation reaction (COOR). Quantitative pictures have been provided of both the stability of Fe@χ3-borophene and various kinetic reaction pathways using first-principles calculations. Strong...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2022-09-01
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| Series: | Frontiers in Chemistry |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2022.1008332/full |