Catalytic Effect of Hydrogen Bond on Oxhydryl Dehydrogenation in Methanol Steam Reforming on Ni(111)
Dehydrogenation of H<sub>3</sub>COH and H<sub>2</sub>O are key steps of methanol steam reforming on transition metal surfaces. Oxhydryl dehydrogenation reactions of H<i><sub>x</sub></i>COH (<i>x</i> = 0–3) and OH on Ni (111) were investigated by DFT calculations with the OptB88-vdW functional. The t...
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| Médium: | Artigo |
| Jazyk: | Inglês |
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MDPI AG
2020-03-01
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| Edice: | Molecules |
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| On-line přístup: | https://www.mdpi.com/1420-3049/25/7/1531 |
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