IFISUR 23398
INSTITUTO DE FISICA DEL SUR
Unidad Ejecutora - UE
artículos
Título:
Advanced materials for hydrogen storage based on iron-palladium intermetallic alloys
Autor/es:
M. G. GANCHENKOVA; V. A. BORODIN; S. YU. BINYUKOVA; E. A. GONZALEZ; P. V. JASEN; A. JUAN
Revista:
INORGANIC MATERIALS: APPLIED RESEARCH
Editorial:
Pleiades Publishing, Ltd
Referencias:
Año: 2011 vol. 2 p. 172 - 175
ISSN:
2075-1133
Resumen:
The article discusses firstprinciples calculations of hydrogen solubility in various interstitial positions in L10 ordered FePd alloy. It is demonstrated that the predominant localization of hydrogen in solid solution is in octahedral positions in the Fe and Pd planes, where the position in the Fe plane is somewhat more favorable (by 0.13 eV). It is also demonstrated that addition of a hydrogen atom to an FePd crystal results in modification of the magnetic moment of the system by approximately one Bohr magneton.
