The diffusion of one-dimensional clusters on Au and Pt(110) (1 x 2) is studied by molecular dynamics simulations. Both metals are modeled by many-body tight-binding potentials. The energy barriers for the elementary diffusion mechanism (concerted jump, leapfrog, dissociation, etc.) are calculated, for chains of up to six atoms, by the nudged elastic band method. The consistency of the results on energy barriers is checked by high-temperature simulations.

Montalenti, F., Baletto, F., Ferrando, R. (2000). Diffusion of one-dimensional clusters on Au and Pt(110) (1×2). SURFACE SCIENCE, 454(1), 575-578 [10.1016/S0039-6028(00)00094-7].

Diffusion of one-dimensional clusters on Au and Pt(110) (1×2)

MONTALENTI, FRANCESCO CIMBRO MATTIA;
2000

Abstract

The diffusion of one-dimensional clusters on Au and Pt(110) (1 x 2) is studied by molecular dynamics simulations. Both metals are modeled by many-body tight-binding potentials. The energy barriers for the elementary diffusion mechanism (concerted jump, leapfrog, dissociation, etc.) are calculated, for chains of up to six atoms, by the nudged elastic band method. The consistency of the results on energy barriers is checked by high-temperature simulations.
Articolo in rivista - Articolo scientifico
SURFACES; METALS; AG
English
mag-2000
454
1
575
578
none
Montalenti, F., Baletto, F., Ferrando, R. (2000). Diffusion of one-dimensional clusters on Au and Pt(110) (1×2). SURFACE SCIENCE, 454(1), 575-578 [10.1016/S0039-6028(00)00094-7].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/36141
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