Simulation of oxidized silicon stripe formation on Pd(111)

Abstract

We propose the model with two interaction constants (nearest neighbour pair repulsion of SiO complexes and their trio attraction in a line) which demonstrates stripe formation during silane decomposition on oxidized Pd(111) surface. The simplest (2 × 1) stripe phase is obtained by kinetic Monte Carlo simulation in absence of longer‐range attractive interactions which are usually necessary for stripe structure formation. Despite higher energy, this phase is shown to be very stable. Phase diagram for this model is obtained, and (2 × 1) phase stability is analyzed varying coverage and reaction rate parameters (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)