IAFE 05512
INSTITUTO DE ASTRONOMIA Y FISICA DEL ESPACIO
Unidad Ejecutora - UE
artículos
Título:
The hydrogen interaction in an FCC FePd alloy with a vacancy
Autor/es:
S ARDENGHI; E GONZÁLEZ; P JASEN; A JUAN
Revista:
PHYSICA SCRIPTA - (Print)
Editorial:
IOP PUBLISHING LTD
Referencias:
Año: 2009 vol. 79 p. 45702 - 45707
ISSN:
0031-8949
Resumen:
The absorption of hydrogen in the ordered face-centered cubic FePd alloy is investigated using a density functional calculation method. Changes in the electronic structure and bonding after introducing an Fe or Pd vacancy are analysed. H locates close to a tetrahedral site and the H-metal bond is achieved at the expense of the interfacial FePd bond.
