Systematic Theoretical Study of Ethylene Adsorption on δ-MoC(001), TiC(001), and ZrC(001) Surfaces
| Contribuinte(s) |
Química de Recursos Energéticos y Medio Ambiente, Instituto de Química, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín, Colombia Departamento de Ciencias Básicas, Universidad de Medellín, Carrera 87 No 30-65, Medellín, Colombia Chemistry Department, Brookhaven National Laboratory, Upton, NY, United States |
|---|---|
| Data(s) |
2016
28/10/2016
28/10/2016
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| Identificador |
19327447 http://hdl.handle.net/11407/2872 10.1021/acs.jpcc.6b03106 |
| Idioma(s) |
eng |
| Publicador |
American Chemical Society |
| Relação |
Journal of Physical Chemistry C http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b03106 |
| Direitos |
info:eu-repo/semantics/restrictedAccess restrictedAccess |
| Fonte |
Scopus |
| Palavras-Chave | #Adsorption #Binding energy #Bins #Carbides #Carbon #Chemical bonds #Electronic properties #Ethylene #Platinum #Titanium carbide #Van der Waals forces #Zirconium compounds #Adsorbate-geometry #Adsorption process #Binding geometries #Bonding mechanism #Ethylene adsorption #Hydrogenation of olefins #Periodic density functional theory #Van der Waals correction #Density functional theory |
| Tipo |
info:eu-repo/semantics/article Article |
