Small Au clusters on a defective MgO(100) surface (Articolo in rivista)

Type

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

Label

• Small Au clusters on a defective MgO(100) surface (Articolo in rivista) (literal)

Anno

• 2008-01-01T00:00:00+01:00 (literal)

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

• 10.1016/j.cplett.2008.03.077 (literal)

Alternative label

• Barcaro G., Fortunelli A. (2008)
  Small Au clusters on a defective MgO(100) surface
  in Chemical physics letters (Print); ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, AMSTERDAM (Paesi Bassi)
  (literal)

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

• Barcaro G., Fortunelli A. (literal)

Pagina inizio

• 143 (literal)

Pagina fine

• 147 (literal)

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

• 456 (literal)

Rivista

• Chemical physics letters (Rivista)

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

• 5 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• IPCF-CNR (literal)

Titolo

• Small Au clusters on a defective MgO(100) surface (literal)

Abstract

• The lowest energy structures of small Au_N clusters (N = 4, 6, 8, 10) adsorbed on an MgO(100) terrace presenting a double vacancy (DV) neutral defect are investigated via a Density-Functionl Basin-Hopping (DF-BH) approach. Gas-phase gold clusters in this size range exhibit planar structures, while a crossover from planar to cage structural motifs takes place between size 8 and 10 when the clusters are adsorbed on the defected surface. A fluxional behavior is found with different structural motifs very close in energy, in agreement with the co-existence of different epitaxies observed in Molecular Beam Epitaxy experiments on larger clusters. Au_6, that is energetically favored in the gas-phase with respect to neighboring sizes thanks to an electronic shell-closure effect, presents a reduced HOMO-LUMO gap, and its stability is comparable to that of other even clusters. (literal)

Editore

• ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS (Editore)

Prodotto di

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Autoorganizzazione di nanocluster di metalli di transizione e polimeri vetrosi (MD.P01.012.002) (Modulo)

Autore CNR

• ALESSANDRO FORTUNELLI (Persona)

Incoming links:

Prodotto

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Autoorganizzazione di nanocluster di metalli di transizione e polimeri vetrosi (MD.P01.012.002) (Modulo)

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

• Chemical physics letters (Rivista)

Autore CNR di

• ALESSANDRO FORTUNELLI (Persona)

Editore di

• ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS (Editore)