Details
| Original language | English |
|---|---|
| Article number | 13 |
| Pages (from-to) | 11332-11344 |
| Number of pages | 13 |
| Journal | Journal of Chemical Physics |
| Volume | 121 |
| Issue number | 22 |
| Publication status | Published - 30 Nov 2004 |
Abstract
The faceting process on Pt(110) is studied with the help of a kinetic Monte Carlo model taking into account realistic Pt-Pt, Pt-CO, and Pt-O interactions. The activation energies of the allowed atomic steps are estimated using available computational and experimental data. The model well reproduces the region in the parameter space where faceting occurs. Under kinetic instability conditions, the simulated faceted pattern forms a periodic hill and valley structure with a lateral periodicity of ∼ 140-170 Å, which is comparable with experimental data. The simulations reproduce the development of faceting on a realistic time scale.
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In: Journal of Chemical Physics, Vol. 121, No. 22, 13, 30.11.2004, p. 11332-11344.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - A realistic kinetic Monte Carlo simulation of the faceting of a Pt(110) surface under reaction conditions
AU - Monine, M. I.
AU - Pismen, L. M.
AU - Imbihl, R.
PY - 2004/11/30
Y1 - 2004/11/30
N2 - The faceting process on Pt(110) is studied with the help of a kinetic Monte Carlo model taking into account realistic Pt-Pt, Pt-CO, and Pt-O interactions. The activation energies of the allowed atomic steps are estimated using available computational and experimental data. The model well reproduces the region in the parameter space where faceting occurs. Under kinetic instability conditions, the simulated faceted pattern forms a periodic hill and valley structure with a lateral periodicity of ∼ 140-170 Å, which is comparable with experimental data. The simulations reproduce the development of faceting on a realistic time scale.
AB - The faceting process on Pt(110) is studied with the help of a kinetic Monte Carlo model taking into account realistic Pt-Pt, Pt-CO, and Pt-O interactions. The activation energies of the allowed atomic steps are estimated using available computational and experimental data. The model well reproduces the region in the parameter space where faceting occurs. Under kinetic instability conditions, the simulated faceted pattern forms a periodic hill and valley structure with a lateral periodicity of ∼ 140-170 Å, which is comparable with experimental data. The simulations reproduce the development of faceting on a realistic time scale.
UR - http://www.scopus.com/inward/record.url?scp=11144286831&partnerID=8YFLogxK
U2 - 10.1063/1.1808417
DO - 10.1063/1.1808417
M3 - Article
AN - SCOPUS:11144286831
VL - 121
SP - 11332
EP - 11344
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 22
M1 - 13
ER -