Investigation of CO and OH adsorption and oxidation in the presence of cocatalytic ruthenium ions on the Pt(111) surface
We present Density Functional Theory (DFT) calculations for COads adsorption and COads + OHads ➔ CO2 + Hads reactions on a Pt(111) slab with, and without, adsorbed RuCl5. CO stretching frequencies and bond distances between CO and PtC were calculated. The derived activation energies and reaction ene...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-02-01
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| Series: | Catalysis Communications |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S156673672200005X |