Structure, chemical ordering and thermal stability of Pt-Ni alloy nanoclusters (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Structure, chemical ordering and thermal stability of Pt-Ni alloy nanoclusters (Articolo in rivista) (literal)

Anno

• 2013-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1088/0953-8984/25/35/355008 (literal)

Alternative label

• Cheng, Daojian; Yuan, Shuai; Ferrando, Riccardo (2013)
  Structure, chemical ordering and thermal stability of Pt-Ni alloy nanoclusters
  in Journal of physics. Condensed matter (Print); IOP PUBLISHING, BRISTOL (Regno Unito)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Cheng, Daojian; Yuan, Shuai; Ferrando, Riccardo (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 25 (literal)

Rivista

• Journal of physics. Condensed matter (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 9 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 35 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Beijing University of Chemical Technology; University of Genoa; IMEM CNR (literal)

Titolo

• Structure, chemical ordering and thermal stability of Pt-Ni alloy nanoclusters (literal)

Abstract

• Equilibrium structures, chemical ordering and thermal properties of Pt-Ni nanoalloys are investigated by using basin hopping-based global optimization, Monte Carlo (MC) and molecular dynamics (MD) methods, based on the second-moment approximation of the tight-binding potentials (TB-SMA). The TB-SMA potential parameters for Pt-Ni nanoalloys are fitted to reproduce the results of density functional theory calculations for small clusters. The chemical ordering in cuboctahedral (CO) Pt-Ni nanoalloys with 561 and 923 atoms is obtained from the so called semi-grand-canonical ensemble MC simulation at 100 K. Two ordered phases of L1(2) (PtNi3) and L1(0) (PtNi) are found for the CO561 and CO923 Pt-Ni nanoalloys, which is in good agreement with the experimental phase diagram of the Pt-Ni bulk alloy. In addition, the order-disorder transition and thermal properties of these nanoalloys are studied by using MC and MD methods, respectively. It is shown that the typical perfect L1(0) PtNi structure is relatively stable, showing high order-disorder transition temperature and melting point among these CO561 and CO923 Pt-Ni nanoalloys. (literal)

Editore

• IOP PUBLISHING (Editore)

Prodotto di

• Proprietà delle superfici e dei cluster di materiali nanostrutturati (MD.P06.002.001) (Modulo)
• Istituto dei materiali per l'elettronica ed il magnetismo (IMEM) (Istituto)

Autore CNR

• RICCARDO FERRANDO (Unità di personale esterno)

Incoming links:

Prodotto

• Istituto dei materiali per l'elettronica ed il magnetismo (IMEM) (Istituto)
• Proprietà delle superfici e dei cluster di materiali nanostrutturati (MD.P06.002.001) (Modulo)

Autore CNR di

• RICCARDO FERRANDO (Unità di personale esterno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Journal of physics. Condensed matter (Rivista)

Editore di

• IOP PUBLISHING (Editore)