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...

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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