The hydrogen interaction in an FCC FePd alloy with a vacancy

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 ac...

Descripción completa

Guardado en:
Detalles Bibliográficos
Publicado: 2009
Materias:
A-density
Face-centered cubic
Fe-Pd alloys
Hydrogen interaction
Metal bonds
Tetrahedral sites
Electronic structure
Palladium
Vacancies
Gas adsorption
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00318949_v79_n4_p_Ardenghi
http://hdl.handle.net/20.500.12110/paper_00318949_v79_n4_p_Ardenghi
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_00318949_v79_n4_p_Ardenghi
record_format dspace
spelling paper:paper_00318949_v79_n4_p_Ardenghi2023-06-08T14:57:39Z The hydrogen interaction in an FCC FePd alloy with a vacancy A-density Face-centered cubic Fe-Pd alloys Hydrogen interaction Metal bonds Tetrahedral sites Electronic structure Palladium Vacancies Gas adsorption 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. 2009 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00318949_v79_n4_p_Ardenghi http://hdl.handle.net/20.500.12110/paper_00318949_v79_n4_p_Ardenghi
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic A-density
Face-centered cubic
Fe-Pd alloys
Hydrogen interaction
Metal bonds
Tetrahedral sites
Electronic structure
Palladium
Vacancies
Gas adsorption
spellingShingle A-density
Face-centered cubic
Fe-Pd alloys
Hydrogen interaction
Metal bonds
Tetrahedral sites
Electronic structure
Palladium
Vacancies
Gas adsorption
The hydrogen interaction in an FCC FePd alloy with a vacancy
topic_facet A-density
Face-centered cubic
Fe-Pd alloys
Hydrogen interaction
Metal bonds
Tetrahedral sites
Electronic structure
Palladium
Vacancies
Gas adsorption
description 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.
title The hydrogen interaction in an FCC FePd alloy with a vacancy
title_short The hydrogen interaction in an FCC FePd alloy with a vacancy
title_full The hydrogen interaction in an FCC FePd alloy with a vacancy
title_fullStr The hydrogen interaction in an FCC FePd alloy with a vacancy
title_full_unstemmed The hydrogen interaction in an FCC FePd alloy with a vacancy
title_sort hydrogen interaction in an fcc fepd alloy with a vacancy
publishDate 2009
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00318949_v79_n4_p_Ardenghi
http://hdl.handle.net/20.500.12110/paper_00318949_v79_n4_p_Ardenghi
_version_ 1768544262340739072

Ejemplares similares