Modelling self-ordering behaviour on Ag covered Pt vicinal surfaces

Abstract: We use computer simulation to explore the formation process of a monolayer of Ag on a stepped Pt(111) substrate and the formation of 3D Pt nanostructures on an Ag covered (111) and (100) Pt substrate. We show that broken lines of Pt nanostructures are preferred at the step edges on the (111) substrate while continuous lines of Pt nanowires are preferred at the step edge on the (100) substrate. This different behaviour is due to the exposed front facet of the nanostructures running along the step, specifically for the (100) stepped substrate a nanowire grown on the step edge has a stable (111) exposed front facet, whereas a nanowire grown on the (111) substrate would have an unstable (100) front facet (depending on the direction of the step). For the Pt nanowires grown on the (100) substrate we show how arriving Pt dimers (and monomers) preferentially move up off the Ag substrate onto the nanowire''s (111) facet where they undergo fast diffusion. We also show that these Pt dimers (and monomers) move up and down the nanowire''s facet until a vacancy or defect is encountered. [Copyright &y& Elsevier]