http://www.cnr.it/ontology/cnr/individuo/prodotto/ID40762
Patchy Multishell Segregation in Pd-Pt Alloy Nanoparticles (Articolo in rivista)
- Type
- Label
- Patchy Multishell Segregation in Pd-Pt Alloy Nanoparticles (Articolo in rivista) (literal)
- Anno
- 2011-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1021/nl200322s (literal)
- Alternative label
Barcaro G., Fortunelli A., Polak M., Rubinovich L. (2011)
Patchy Multishell Segregation in Pd-Pt Alloy Nanoparticles
in Nano letters (Print); ACS, American chemical society, Washington, DC (Stati Uniti d'America)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Barcaro G., Fortunelli A., Polak M., Rubinovich L. (literal)
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- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Titolo
- Patchy Multishell Segregation in Pd-Pt Alloy Nanoparticles (literal)
- Abstract
- Chemical ordering in face-centered-cubic-like
PdPt nanoparticles consisting of 38-201 atoms is studied via
density-functional calculations combined with a symmetry orbit
approach. It is found that for larger particles in the Pd-rich
regime, Pt atoms can segregate at the center of the nanoparticle
(111) surface facets, in contrast with extended systems in which
Pd is known to segregate at the surface of alloy planar surfaces.
In a range of compositions around 1:1, a novel multishell
chemical ordering pattern was favored, in which each shell is a
patchwork of islands of atoms of the two elements, but the order
of the patchwork is reversed in the alternating shells. These findings are rationalized in terms of coordination-dependent bondenergy
variations in the metal-metal interactions, and their implications in terms of properties and applications of nanoscale alloy
particles are discussed. (literal)
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