NickelMaghrebV1, Main, Exploration, bibRecord, 000491

Theoretical study of the Ni growth on Pt stepped surfaces

Identifieur interne : 000491 ( Main/Exploration ); précédent : 000490; suivant : 000492

Theoretical study of the Ni growth on Pt stepped surfaces

Auteurs : Essolaani Wafa [Tunisie] ; Garbouj Hedi [Tunisie] ; Said Moncef [Tunisie] ; Picaud Fabien [France] ; Ramseyer Christophe [France] ; Spanjaard Daniel [France] ; Desjonquères Marie-Catherine [France]

Source :

Surface science [ 0039-6028 ] ; 2009.

RBID : Pascal:10-0229502

Descripteurs français

Pascal (Inist)
- Etude théorique, Nickel, Simulation ordinateur, Interaction interatomique, Méthode Monte Carlo, Simulation numérique, Méthode semiempirique, Modèle empirique, Diffusion(transport), Energie surface, Ni.
Wicri :
- topic : Nickel.

English descriptors

KwdEn :
- Computerized simulation, Diffusion, Digital simulation, Empirical model, Interatomic interaction, Monte Carlo methods, Nickel, Semiempirical method, Surface energy, Theoretical study.

Abstract

We have investigated the growth of Ni on Pt stepped surfaces with (1 1 1) terraces by means of potentials derived from the second moment approximation in a tight-binding model. The activation energies associated to these processes are determined. The Schwoebel barriers of Ni atoms descending steps of Pt stepped surfaces are calculated for different kinds of straight steps (A and B steps) differing by the orientation of the ledge. In addition, we study the diffusion of Ni adatoms at fcc or hcp sites in the presence of small adislands on the terraces, in the vicinity of the A and B steps. We show that a good estimate of the potential wells and diffusion barriers could be given by introducing a lateral effective pair interaction model, the interactions extending up to the next nearest neighbors. Finally, we have carried out Kinetic Monte-Carlo simulations to investigate the Ni wire formation at Pt step edges and the influence of the exchange processes in the alloy formation.

Affiliations:

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Le document en format XML

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<front><div type="abstract" xml:lang="en">We have investigated the growth of Ni on Pt stepped surfaces with (1 1 1) terraces by means of potentials derived from the second moment approximation in a tight-binding model. The activation energies associated to these processes are determined. The Schwoebel barriers of Ni atoms descending steps of Pt stepped surfaces are calculated for different kinds of straight steps (A and B steps) differing by the orientation of the ledge. In addition, we study the diffusion of Ni adatoms at fcc or hcp sites in the presence of small adislands on the terraces, in the vicinity of the A and B steps. We show that a good estimate of the potential wells and diffusion barriers could be given by introducing a lateral effective pair interaction model, the interactions extending up to the next nearest neighbors. Finally, we have carried out Kinetic Monte-Carlo simulations to investigate the Ni wire formation at Pt step edges and the influence of the exchange processes in the alloy formation.</div>
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Serveur d'exploration sur le nickel au Maghreb

Theoretical study of the Ni growth on Pt stepped surfaces

Theoretical study of the Ni growth on Pt stepped surfaces

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri