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Selective Oxidation of Propylene on Cu(2)O(111) and Cu(2)O(110) Surfaces: A Systematically DFT Study
[Image: see text] Density functional theory calculations with a Hubbard U correction were used to investigate the selective oxidation of propylene on Cu(2)O(111) and Cu(2)O(110) surfaces, and the mechanism for the selective oxidation of propylene was discussed. On both surfaces, acrolein can be gene...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7114144/ https://www.ncbi.nlm.nih.gov/pubmed/32258860 http://dx.doi.org/10.1021/acsomega.9b02997 |