Showing papers by "Jens K. Nørskov published in 1988"
TL;DR: A molecular-dynamics simulation of an Al(110) surface using the effective-medium theory to describe the interatomic interactions finds the surface region is found to start melting below the bulk melting temperature with a gradual increase in the thickness of the disordered layer as the temperature approaches the Bulk melting point.
Abstract: We report on a molecular-dynamics simulation of an Al(110) surface using the effective-medium theory to describe the interatomic interactions. The surface region is found to start melting \ensuremath{\cong}200 K below the bulk melting temperature with a gradual increase in the thickness of the disordered layer as the temperature approaches the bulk melting point. The more close-packed Al(111) surface shows a much weaker disordering below the melting temperature.
144 citations
TL;DR: Calcul, par la theorie du milieu effectif, de l'energie de chimisorption and of the configuration d'equilibre du potassium adsorbe sur Cu(110) en fonction du degre de recouvrement.
Abstract: Calcul, par la theorie du milieu effectif, de l'energie de chimisorption et de la configuration d'equilibre du potassium adsorbe sur Cu(110). Analyse de la reconstruction de surface (1×2) en fonction du degre de recouvrement. Explication des resultats
82 citations
26 citations
01 Jan 1988
TL;DR: In this article, the stability of the (1×2) missing row reconstruction of fcc(110) surfaces using the effective medium theory was studied. And the reconstruction was shown to be driven by the kinetic energy and opposed by an electrostatic energy.
Abstract: The stability of the (1×2) missing row reconstruction of fcc(110) surfaces is studied using the effective medium theory. For clean surfaces an approximate criterium for reconstruction can be derived analytically relating the tendency towards reconstruction to the bulk and shear moduli of the metal. The reconstruction is shown to be driven by the kinetic energy and opposed by an electrostatic energy. It is also shown that low coverages of K on Cu(110) stabilises the missing row reconstruction significantly.
3 citations