Cargando…
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...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
|
| Materias: | |
| 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 |