|
Título:
|
Bond formation at the Ni/ZrO_(2) interface
|
|
Autores:
|
Beltrán Finez, Juan Ignacio ;
Gallego, S. ;
Cerdá, J. ;
Moya, J. S. ;
Muñoz, M. C.
|
|
Tipo de documento:
|
texto impreso
|
|
Editorial:
|
American Physical Society, 2003-08-15
|
|
Dimensiones:
|
application/pdf
|
|
Nota general:
|
info:eu-repo/semantics/openAccess
|
|
Idiomas:
|
|
|
Palabras clave:
|
Estado = Publicado
,
Materia = Ciencias: Física: Electricidad
,
Materia = Ciencias: Física: Electrónica
,
Tipo = Artículo
|
|
Resumen:
|
We report on the formation of strong chemical bonds at the Ni(100)/cubic-ZrO_(2)(100) polar interfaces. Ab initio density functional theory calculations demonstrate that both Zr/Ni and O/Ni junctions are energetically stable, and predict that two different interactions determine the interface adhesion. Our results reveal that O-Ni ionic bonds are formed by Ni electron donation, while the Zr-Ni bonds show a mixed character with ionic and electron hybridization contributions.
|
|
En línea:
|
https://eprints.ucm.es/id/eprint/31429/1/BeltranFinez%20JI%2012%20LIBRE.pdf
|
