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
Autores principales:	Ardenghi, S., González, E., Jasen, P., Juan, A.
Formato:	JOUR
Materias:	A-density Face-centered cubic Fe-Pd alloys Hydrogen interaction Metal bonds Tetrahedral sites Electronic structure Palladium Vacancies Gas adsorption
Acceso en línea:	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

Ejemplares similares

The hydrogen interaction in an FCC FePd alloy with a vacancy
Publicado: (2009)

Zener relaxation strength in b.c.c. and f.c.c. alloys
por: Povolo, Francisco, et al.
Publicado: (1994)

Zener relaxation strength in b.c.c. and f.c.c. alloys
por: Povolo, F., et al.

Bonding in PdH2 and Pd2H2 systems adsorbed on carbon nanotubes: Implications for hydrogen storage
Publicado: (2014)

Bonding in PdH2 and Pd2H2 systems adsorbed on carbon nanotubes: Implications for hydrogen storage
por: López-Corral, I., et al.

Zener relaxation strength in b.c.c. and f.c.c. alloys under torsional and longitudinal excitations
por: Povolo, Francisco, et al.
Publicado: (1994)

Zener relaxation strength in b.c.c. and f.c.c. alloys under torsional and longitudinal excitations
por: Povolo, F., et al.

The electrochemical facetting of metal surfaces : Preferred crystallographic orientation and roughening effects in electrocatalysis
por: Triaca, Walter Enrique, et al.
Publicado: (1990)

New approach for atomistic modeling of Pd/Cu(110) surface alloy formation
Publicado: (2000)

New approach for atomistic modeling of Pd/Cu(110) surface alloy formation
por: Garces, J.E., et al.

Electrocatalytic hydrogenation of acetophenone and benzophenone using palladium electrodes
por: Villalba, Matias Ariel, et al.
Publicado: (2015)

Electrocatalytic hydrogenation of acetophenone and benzophenone using palladium electrodes
por: Villalba, M., et al.

Enantioselective electrocatalytic hydrogenation of ethyl pyruvate on carbon supported Pd electrodes
Publicado: (2007)

Enantioselective electrocatalytic hydrogenation of ethyl pyruvate on carbon supported Pd electrodes
por: Vago, M., et al.

The Effect of Palladium Coating on Hydrogen Storage Alloy Electrodes for Nickel/Metal Hydride Batteries
por: Visintin, Arnaldo, et al.
Publicado: (1997)

Electrochemical study of hydrogen absorption in polycrystalline palladium
por: Salvarezza, Roberto Carlos, et al.
Publicado: (1991)

Atomistic modeling of Pd/Cu(100) surface alloy formation
Publicado: (2000)

Atomistic modeling of Pd/Cu(100) surface alloy formation
por: Garcés, J.E., et al.

Hydrogen diffusion and trapping in nanocrystalline tungsten
Publicado: (2015)

Hydrogen diffusion and trapping in nanocrystalline tungsten
por: Piaggi, P.M., et al.

Hydrogen-Induced Deformations of Metals Followed by in Situ Scanning Tunneling Microscopy : Palladium Electrolytic Hydrogen Charging and Discharging in Alkaline Solution
por: Andreasen, Gustavo, et al.
Publicado: (1999)

Magnetic properties of bimetallic Ni-Pd nanoclusters
por: Guevara, Alejandro Javier, et al.
Publicado: (2004)

Magnetic properties of bimetallic Ni-Pd nanoclusters
por: Guevara, J., et al.

Hydrogen-Bond Heterogeneity Boosts Hydrophobicity of Solid Interfaces
por: Molinero, Valeria Paula
Publicado: (2015)

Hydrogen-Bond Heterogeneity Boosts Hydrophobicity of Solid Interfaces
por: Factorovich, M.H., et al.

Kinetics of the hydrogen-evolution reaction on palladium electrodes in molten potassium bisulphate
por: Arvia, Alejandro Jorge, et al.
Publicado: (1969)

Oxidation of glycerol with H2O2 on Pb-promoted Pd/γ-Al2O3 catalysts
por: Faroppa, María L., et al.
Publicado: (2016)

Proceedings of the Symposium on Hydrogen Storage Materials, Batteries, and Electrochemistry /
Publicado: (1992)

Hydrogen bonding a theoretical perspective /
por: Scheiner, Steve
Publicado: (1997)

Catalizadores Pd y Ni soportados para la hidrogenación selectiva de estireno a etilbenceno
por: Sepúlveda Flores, Jorge Humberto
Publicado: (2009)

Síntesis y caracterización de aleaciones ternarias soportadas en materiales porosos para la purificación de hidrógeno
por: Braun, Fernando
Publicado: (2014)

Selective electrocatalytic hydrogenation using palladium nanoparticles electrochemically formed in layer-by-layer multilayer films
Publicado: (2015)

Selective electrocatalytic hydrogenation using palladium nanoparticles electrochemically formed in layer-by-layer multilayer films
por: Villalba, M., et al.

Vacancies and other point defects in metals and alloys ; a symposium held at the Atomic Energy Research Establishment, Harwell, Berks., on 10 December 1957.
Publicado: (1958)

Study of the structure of titanium thin films deposited with a vacuum arc as a function of the thickness
por: Fazio, Mariana Andrea, et al.
Publicado: (2015)

Study of the structure of titanium thin films deposited with a vacuum arc as a function of the thickness
por: Fazio, M., et al.

Topological analysis of hydrogen bonding interactions involving C-H...O bonds
por: Contreras, Rubén Horacio
Publicado: (1997)

Topological analysis of hydrogen bonding interactions involving C-H...O bonds
por: Sosa, G.L., et al.

Evaluation of Residual Stresses Induced by Face Milling Using a Method of Micro-indents
por: Díaz, F.V, et al.
Publicado: (2019)

por: Sereni, J.G., et al.
Publicado: (2009)