Coverage dependent IR frequency shift of CO molecules adsorbed on Ni(111) surface

Influence of the dynamical interactions on the infrared spectrum of CO molecules adsorbed on Ni(111) surface is studied assuming that the vibrational frequencies of the molecules adsorbed in the fcc and hep three-fold hollow sites differ by 15 cm −1. The evolution with surface coverage of the calcul...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Surface science 1997-07, Vol.384 (1), p.L875-L879
Hauptverfasser:	Smirnov, Konstantin S., Raseev, Georges
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Carbon monoxide Computer simulations Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Infrared adsorption spectroscopy Infrared and Raman spectra Infrared and raman spectra and scattering Metals. Metallurgy Nickel Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation Physics Single crystal surfaces Solid surfaces and solid-solid interfaces Surface and interface dynamics and vibrations Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Vibrations of adsorbed molecules
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Beschreibung
Zusammenfassung:	Influence of the dynamical interactions on the infrared spectrum of CO molecules adsorbed on Ni(111) surface is studied assuming that the vibrational frequencies of the molecules adsorbed in the fcc and hep three-fold hollow sites differ by 15 cm −1. The evolution with surface coverage of the calculated band positions and intensity ratios are in good agreement with experimental results.
ISSN:	0039-6028 1879-2758
DOI:	10.1016/S0039-6028(97)00291-4