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Iron sesquilayers are ultrathin films with coverages between one and two atomic mono-layers. They consist of an almost defect-free monolayer with compact islands of a second atomic layer on top. This variation of the film thickness results in a strong interaction between domain walls and the island structure. It makes these systems an ideal laboratory to study the dynamics of domain walls driven by weak external fields. We present computer simulations which provide insight into the role of the thermally activated nucleation processes by which a driven domain wall overcomes the obstacles created by the islands.
We discuss applications of statistical-mechanical lattice-gas models to electrochemical adsorption. Our strategy to describe specific systems includes microscopic model formulation, calculation of zero-temperature phase diagrams, numerical simulation of thermody-namic and structural quantities at nonzero temperatures, and estimation of effective, lateral interactions. We report applications to adsorption on single-crystal electrodes, presenting simulated and experimental coverages and voltammetric currents for urea on Pt(100) and the underpotential deposition of Cu on Au(111) in sulfuric acid. We also discuss an extension of the method to study time-dependent phenomena far from equilibrium.
We consider a three-state lattice-gas with nearest-neighbor interactions on a triangular lattice as a model for multicomponent chemi- and physisorption. By varying the lateral interaction constants between the adsorbate particles, this model can be made to exhibit either enhanced adsorption or poisoning (inhibited adsorption). We discuss here the conditions on the interaction constants that lead to poisoning. We present the results of a ground-state calculation and detailed numerical study of the phase diagram for a set of interactions that exhibits poisoning. We calculate the phase diagrams and adsorption isotherms by the finite-size scaling transfer-matrix method. We consider the result as a simple model for the coadsorption of Sulphur and Hydrogen on a Platinum (111) surface, with interaction constants estimated from experimental data. The resulting adsorption isotherms are in good agreement with experimental results.
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