Chlorine adsorption on Cu(111) revisited: LT-STM and DFT study
Résumé
Adsorption of chlorine atoms on the Cu(111) surface has been studied with low-temperature scanning tunneling microscopy (LT-STM) in a combination with density functional theory (DFT) calculations. At submonolayer coverage range (theta <= 0.10 ML), chlorine forms quasi-one dimensional chains. Atoms in the chains alternately occupy fcc and hcp positions, with nearest-neighbor distance of approximate to 3.9 angstrom. At coverage of 0.10-0.33 ML, a simple (root 3 x root 3)R30 degrees structure is formed, in which all chlorine atoms occupy fcc positions with nearest neighbor distances of 4.4 angstrom