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

Citation
F. Montalenti et al., Diffusion of one-dimensional clusters on Au and Pt(110) (1 x 2), SURF SCI, 454, 2000, pp. 575-578
Citations number
10
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
SURFACE SCIENCE
ISSN journal
00396028 → ACNP
Volume
454
Year of publication
2000
Pages
575 - 578
Database
ISI
SICI code
0039-6028(20000520)454:<575:DOOCOA>2.0.ZU;2-J
Abstract
The diffusion of one-dimensional clusters on Au and Pt(110) (1 x 2) is stud ied 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, f or chains of up to six atoms, by the nudged elastic band method. The consis tency of the results on energy barriers is checked by high-temperature simu lations. (C) 2000 Elsevier Science B.V. All rights reserved.