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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...

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Detalles Bibliográficos
Autores principales:	Song, Yang-Yang, Dong, Bo, Wang, Shi-Wei, Wang, Zhong-Rui, Zhang, Manjie, Tian, Peng, Wang, Gui-Chang, Zhao, Zhen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
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

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