A detailed experimental and theoretical investigation of the structure of nitric oxide adsorption layers formed at 140 K on Rh(100) has been carried out by means of x-ray photoelectron spectroscopy, x-ray photoelectron diffraction, near-edge x-ray absorption fine structure, and ab initio calculations. At saturation, a single NO species is present. Both theory and experimental results indicate a bridge adsorption site for NO in this phase, with the molecules standing upright on the surface. At low NO coverage, the presence of a different molecular species is experimentally revealed and it is fully characterized by ab initio calculations. This species has been identified with a NO molecule with the molecular axis almost parallel to the surface, lying above a Rh(100) hollow site with the two atoms in asymmetric bridge sites. (C) 2003 American Institute of Physics.
|Titolo:||NO adsorption on Rh(100). I. Structural characterization of the adlayers|
|Autori:||BONDINO F; COMELLI G; BARALDI A; VESSELLI E; ROSEI R; GOLDONI A; LIZZIT S; BUNGARO C; DE GIRONCOLI S; BARONI S|
|Rivista:||THE JOURNAL OF CHEMICAL PHYSICS|
|Data di pubblicazione:||2003|
|Digital Object Identifier (DOI):||10.1063/1.1627756|
|Appare nelle tipologie:||1.1 Journal article|