Artículo

Reactivity of bimetallic nanostructured electrocatalysts for the hydrogen adsorption. An atomistic view

Schulte, Erica DanielaIcon ; Santos, E; Quaino, Paola MonicaIcon
Fecha de publicación: 07/2020
Editorial: Elsevier Science
Revista: Surface Science
ISSN: 0039-6028
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

The reactivity and structure of bimetallic nano-arrangements deposited on Au(111) surfaces have been investigated on the basis of DFT. Several bimetallic nanostructures have been investigated: wires and clusters with different Pd:Pt ratios. Modifications in the material reactivity due to electronic, chemical and geometrical effects were evaluated in terms of energetics, charge redistribution and density of states projected onto the involved atoms to provide a deeper insight into the material behavior. Additionally, we discussed the nanostructure reactivity for the hydrogen reaction by analysis of the behavior of the adsorbed intermediate (Hads)
Palabras clave: BIMETALLIC MATERIALS , DFT , NANOSTRUCTURES , HYDROGEN
 
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/110064
URL: https://linkinghub.elsevier.com/retrieve/pii/S0039602820301023
DOI: http://dx.doi.org/10.1016/j.susc.2020.121605
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Citación
Schulte, Erica Daniela; Santos, E; Quaino, Paola Monica; Reactivity of bimetallic nanostructured electrocatalysts for the hydrogen adsorption. An atomistic view; Elsevier Science; Surface Science; 697; 7-2020
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