A MODEL SURFACE-REACTION ON STEPPED SURFACES

Citation
Ds. Sholl et Rt. Skodje, A MODEL SURFACE-REACTION ON STEPPED SURFACES, Surface science, 345(1-2), 1996, pp. 173-184
Citations number
39
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00396028
Volume
345
Issue
1-2
Year of publication
1996
Pages
173 - 184
Database
ISI
SICI code
0039-6028(1996)345:1-2<173:AMSOSS>2.0.ZU;2-9
Abstract
Lattice gas models are ideal for studying the properties of adsorbates on inhomogeneous surfaces. The primary technique for examining these models, Monte Carlo simulations, is often very computationally expensi ve. We introduce an approximate theory that is well suited to rapidly determining qualitative behaviours of lattice gases on inhomogeneous s urfaces. This method is used to examine the effect of steps and kinks on the well-studied A + B-2 model reaction. This reaction exhibits a d iscontinuous and continuous kinetic phase transition on a perfect surf ace. We show how these transitions behave as a function of terrace wid th, step orientation, and surface diffusion rate.