Reversible 1 x 1 ⇌ 1 x 2 reconstruction of Pt(110) surface was studied with the help of a kinetic Monte Carlo model. Activation energies of the allowed atomic steps were estimated using available computational and experimental data, and some discrepancies were reconciled to fit macroscopic data on surface reconstruction. Both energies of the various atomic configurations and activation energies depend on CO coverage and were estimated with the account of Pt-CO binding energies and repulsive interactions on adjacent sites. The model well reproduces both scanning tunnelling microscopy results obtained for a clean 1 x 2 surface and available macroscopic data on 1 x 1 ⇌ 1 x 2 reconstruction.

Realistic Kinetic Monte Carlo Study of the Surface Phase Reconstruction. M.I.Monine, L.M.Pismen: Physical Review E, 2004, 69[2], 021606 (10pp)