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Abstract:

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 Fe-Pd bond. © 2009 The Royal Swedish Academy of Sciences.

Registro:

Documento: Artículo
Título:The hydrogen interaction in an FCC FePd alloy with a vacancy
Autor:Ardenghi, S.; González, E.; Jasen, P.; Juan, A.
Filiación:Instituto de Astronomía y Física Del Espacio (IAFE), Ciudad Autónoma de Buenos Aires, CC 67 - Suc 28 (C1428ZAA), Argentina
Departamento de Física, Universidad Nacional Del sur, Av. Alem 1253, Bahía Blanca (8000), Argentina
Palabras clave:A-density; Face-centered cubic; Fe-Pd alloys; Hydrogen interaction; Metal bonds; Tetrahedral sites; Electronic structure; Palladium; Vacancies; Gas adsorption
Año:2009
Volumen:79
Número:4
DOI: http://dx.doi.org/10.1088/0031-8949/79/04/045702
Título revista:Physica Scripta
Título revista abreviado:Phys Scr
ISSN:00318949
CODEN:PHSTB
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00318949_v79_n4_p_Ardenghi

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Citas:

---------- APA ----------
Ardenghi, S., González, E., Jasen, P. & Juan, A. (2009) . The hydrogen interaction in an FCC FePd alloy with a vacancy. Physica Scripta, 79(4).
http://dx.doi.org/10.1088/0031-8949/79/04/045702
---------- CHICAGO ----------
Ardenghi, S., González, E., Jasen, P., Juan, A. "The hydrogen interaction in an FCC FePd alloy with a vacancy" . Physica Scripta 79, no. 4 (2009).
http://dx.doi.org/10.1088/0031-8949/79/04/045702
---------- MLA ----------
Ardenghi, S., González, E., Jasen, P., Juan, A. "The hydrogen interaction in an FCC FePd alloy with a vacancy" . Physica Scripta, vol. 79, no. 4, 2009.
http://dx.doi.org/10.1088/0031-8949/79/04/045702
---------- VANCOUVER ----------
Ardenghi, S., González, E., Jasen, P., Juan, A. The hydrogen interaction in an FCC FePd alloy with a vacancy. Phys Scr. 2009;79(4).
http://dx.doi.org/10.1088/0031-8949/79/04/045702