Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (Articolo in rivista)

Type
Label
  • Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/j.cplett.2013.04.050 (literal)
Alternative label
  • Damianos, Konstantina; Ferrando, Riccardo (2013)
    Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study
    in Chemical physics letters (Print); North Holland Pub. Co., Amsterdam (Paesi Bassi)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Damianos, Konstantina; Ferrando, Riccardo (literal)
Pagina inizio
  • 70 (literal)
Pagina fine
  • 76 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 573 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 7 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • University of Genoa; CNR IMEM (literal)
Titolo
  • Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (literal)
Abstract
  • The structures of small Pd-Au clusters adsorbed on stepped MgO(100) are studied by Density-Functional Theory calculations, in the size range from 2 to 7 atoms for all compositions. A series of different structural motifs is singled out. These motifs are often in close energetic competition. It is shown that the adsorption in the vicinity of a step has strong effects on the preferential morphologies of these clusters. The driving forces for the stabilization of the lowest-energy structures are discussed. (C) 2013 Elsevier B.V. All rights reserved. (literal)
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