INVESTIGADORES
GONZALEZ Estela Andrea
artículos
Título:
A theoretical study of interstitial hydrogen effect on the electronic structure of the FePd alloy with a vacancy
Autor/es:
S. ARDENGHI; E. GONZÁLEZ; P. JASEN; A. JUAN
Revista:
PHYSICA SCRIPTA
Editorial:
IOP Publishing
Referencias:
Año: 2009 vol. 79 p. 457021 - 457025
ISSN:
0281-1847
Resumen:
The absorption of hydrogen in the ordered FCC FePd alloy is investigated using a density functional calculation method. The changes in the electronic structure and bonding after introducing a Fe or Pd vacancy are analyzed. H locates close to a tetrahedral site and the H-metal bond is achieved at the expense of the interfacial Fe-Pd bond.
