The nucleation energy of bimetallic MCu n clusters (MNi. Pd, Pt; n = 1-4) adsorbed on an F s center of the MgO(001) surface have been studied by first-principles method based on density functional theory and compared to their gas phase counterparts. In addition, the condensed Fukui function and the...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2012
- Institución:
- Universidad de Medellín
- Repositorio:
- Repositorio UDEM
- Idioma:
- eng
- OAI Identifier:
- oai:repository.udem.edu.co:11407/1360
- Acceso en línea:
- http://hdl.handle.net/11407/1360
- Palabra clave:
- Bimetallic
Density functional calculations
Fukui function
Oxide metal
Reactivity
- Rights
- restrictedAccess
- License
- http://purl.org/coar/access_right/c_16ec