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Catalysis of Cu Cluster for NO Reduction by CO: Theoretical Insight into the Reaction Mechanism
[Image: see text] Density functional theory calculations here elucidated that Cu(38)-catalyzed NO reduction by CO occurred not through NO dissociative adsorption but through NO dimerization. NO is adsorbed to two Cu atoms in a bridging manner. NO adsorption energy is much larger than that of CO. N–O...
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| Publicat a: | ACS Omega |
|---|---|
| Autors principals: | , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2019
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6648525/ https://ncbi.nlm.nih.gov/pubmed/31459495 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b02890 |
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