In this work we investigate the vibrational properties of atomic oxygen on Ag(2 1 0) in a mixed on-surface + sub-surface adsorption configuration using density-functional perturbation theory. In particular, we consider a geometry in which oxygen decorates the steps and an additional O species is located in an octahedral sub-surface site just below an Ag step atom. This structure presents a mode at 55 meV due to the coupled vibration of on-surface and sub-surface O species, which is close to that observed in HREEL spectra.

On-surface and sub-surface oxygen adsorption on Ag(210): vibrational properties / Bonini, N.; Dal Corso, A.; Kokalj, A.; de Gironcoli, S.; Baroni, S.. - In: SURFACE SCIENCE. - ISSN 0039-6028. - 587:1-2(2005), pp. 50-54. [10.1016/j.susc.2005.04.051]

On-surface and sub-surface oxygen adsorption on Ag(210): vibrational properties

Bonini, N.;Dal Corso, A.;Kokalj, A.;de Gironcoli, S.;Baroni, S.
2005-01-01

Abstract

In this work we investigate the vibrational properties of atomic oxygen on Ag(2 1 0) in a mixed on-surface + sub-surface adsorption configuration using density-functional perturbation theory. In particular, we consider a geometry in which oxygen decorates the steps and an additional O species is located in an octahedral sub-surface site just below an Ag step atom. This structure presents a mode at 55 meV due to the coupled vibration of on-surface and sub-surface O species, which is close to that observed in HREEL spectra.
2005
587
1-2
50
54
http://dx.doi.org/10.1016/j.susc.2005.04.051
Bonini, N.; Dal Corso, A.; Kokalj, A.; de Gironcoli, S.; Baroni, S.
File in questo prodotto:
File Dimensione Formato  
1-s2.0-S0039602805004401-main.pdf

non disponibili

Tipologia: Versione Editoriale (PDF)
Licenza: Non specificato
Dimensione 448.4 kB
Formato Adobe PDF
448.4 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/15926
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 14
  • ???jsp.display-item.citation.isi??? 14
social impact