A Density Functional Theory and Microkinetic Study of Acetylene Partial Oxidation on the Perfect and Defective Cu(2)O (111) Surface Models

The catalytic removal of C(2)H(2) by Cu(2)O was studied by investigating the adsorption and partial oxidation mechanism of C(2)H(2) on both perfect (stoichiometric) and Cu(CUS)-defective Cu(2)O (111) surface models using density functional theory calculations. The chemisorption of C(2)H(2) on perfec...

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Detalles Bibliográficos
Autores principales: Wu, Ling-Nan, Tian, Zhen-Yu, Qin, Wu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9572313/
https://www.ncbi.nlm.nih.gov/pubmed/36235282
http://dx.doi.org/10.3390/molecules27196748

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9572313/
https://www.ncbi.nlm.nih.gov/pubmed/36235282
http://dx.doi.org/10.3390/molecules27196748

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