Document
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Journal of Physical Chemistry C
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type: Continuant
type: Journal
type: Document
type: Information Content Entity
publication venue for: Hydrogen interaction in Pd-Pt alloy nanoparticles
type: Generically Dependent Continuant
type: Collection
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type: Periodical

Continuant
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RDF description of Hydrogen interaction in Pd-Pt alloy nanoparticles - http://orbis.uaslp.mx/vivo/individual/scopus2938
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date: 2026-08-25T07:00:43
publisher: vivo
type: Document

Article
type: Class

Hydrogen interaction in Pd-Pt alloy nanoparticles
origen: scopus
type: Thing
abstract: A theoretical study of hydrogen deposition and insertion in bimetallic Pd-Pt nanoalloys has been carried out in the framework of the density functional theory. Our model systems are 147-atom clusters of cuboctahedral shape and stoichiometries of Pd 1.00, Pd 0.91Pt 0.09, Pd 0.82Pt 0.18, and Pd 0.54Pt 0.46, resembling those recently produced and characterized in the context of H insertion (Kobayashi, H. et al. J. Am. Chem. Soc.2010, 132, 5576.). Adsorption and absorption energies have been computed for H in all stable positions for the different compositions. Absorption is found to improve for nanoalloys with a small Pt concentration of 8-20%25. However, when the Pt content approaches 50%25, the absorption capability worsens, even as compared with the pure Pd nanoparticles. These trends are fully consistent with the experimental data. The local geometrical and electronic environments of hydrogen in these alloy nanoparticles are explored in detail so as to understand the observed behavior. Concerning the H deposition, our results indicate that Pd-Pt nanoalloys with high Pt content might be efficient in regard to preferential oxidation reaction mediated by hydrogen. © 2011 American Chemical Society.
related by: authorship_17200
related by: authorship_17197
type: Generically Dependent Continuant
estado: published
most specific type: Document
e iscopus: 2-s2.0-84855883770
page start: 126
page end: 133
date time value: article date 2939
freetext keyword: Absorption capability; Absorption energies; Alloy nanoparticle; Cuboctahedral shape; Electronic environments; Experimental data; Hydrogen interaction; Model system; Nano-alloys; PD nano particle; Pd-Pt alloy; Preferential oxidation; Theoretical study; Adsorption; Cerium alloys; Density functional theory; Hydrogen; Nanoparticles; Platinum; Platinum compounds; Stoichiometry; Platinum alloys
type: Article
type: Entity
type: Document
issue: 1
volume: 116
type: Continuant
crisid: 2939
most specific type: Article
doi: 10.1021/jp207329q
type: Information Content Entity
related by: authorship_17198
has publication venue: Journal of Physical Chemistry C
related by: authorship_17199

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