Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys (Articolo in rivista)

Type
Label
  • Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Curley, BC; Rossi, G; Ferrando, R; Johnston, RL (2007)
    Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Curley, BC; Rossi, G; Ferrando, R; Johnston, RL (literal)
Pagina inizio
  • 53 (literal)
Pagina fine
  • 56 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 43 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England; Univ Genoa, Dipartimento Fis, INFM, I-16146 Genoa, Italy; Univ Genoa, Dipartimento Fis, CNR, IMEM, I-16146 Genoa, Italy (literal)
Titolo
  • Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys (literal)
Abstract
  • Ag-Au bimetallic 'nanoalloy' clusters with 38 atoms have been studied using a Gupta many-body potential combined with a genetic algorithm search technique. Clear changes in structure are observed as a function of Ag/Au composition and there is a clear tendency for surface segregation of the Ag atoms. Cluster stability is found to increase with increasing number of Au-Au and Ag-Au bonds and the segregation has been rationalised in terms of bonds strengths and elemental surface energies. (literal)
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