A realistic kinetic Monte Carlo simulation of the faceting of a Pt(110) surface under reaction conditions.
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 approximately 140-170 A, which is comparable with experimental data. The simulations reproduce the development of faceting on a realistic time scale.
Monine
M I
MI
Department of Chemical Engineering, Minerva Center for Nonlinear Physics of Complex Systems and Institute of Catalysis Science and Technology, Technion, 32000 Technion City, Haifa, Israel.
Pismen
L M
LM
Imbihl
R
R