Magic silver cluster on a MgO(100) terrace with defects (Articolo in rivista)

Type
Label
  • Magic silver cluster on a MgO(100) terrace with defects (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.76.165412 (literal)
Alternative label
  • Barcaro G., Fortunelli A. (2007)
    Magic silver cluster on a MgO(100) terrace with defects
    in Physical review. B, Condensed matter and materials physics; American Physical Society (APS), College Pk (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Barcaro G., Fortunelli A. (literal)
Pagina inizio
  • 165412 (literal)
Pagina fine
  • 165412 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 76 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • IPCF-CNR (literal)
Titolo
  • Magic silver cluster on a MgO(100) terrace with defects (literal)
Abstract
  • The structure and energetics of AgN clusters (N=2–10) adsorbed on a double vacancy (DV) neutral defect of a MgO(100) terrace are investigated via a density-functional basin-hopping approach. It is found that Ag8 is a surface magic cluster from both electronic and structural points of view, i.e., it exhibits enhanced stability with respect to neighboring sizes and a large highest occupied molecular orbital–lowest unoccupied molecular orbital gap. The possibility of synthesizing monodisperse Ag8/DV/MgO(100) clusters is discussed. The first ionization potential, the electron affinity, and the interaction energies with atomic and molecular oxygen are evaluated for the adsorbed Ag clusters, showing that Ag8 exhibits appreciable differences in its electronic and chemical properties with respect to neighboring sizes. (literal)
Editore
Prodotto di
Autore CNR

Incoming links:


Prodotto
Autore CNR di
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
Editore di
data.CNR.it