Oxygen-induced step bunching and faceting of Rh(553): Experiment and<i>ab initio</i>calculations

Abstract

Using a combined experimental and theoretical approach, we show that the initial oxidation of a Rh(553) surface, a surface vicinal to (111), undergoes step bunching when exposed to oxygen, forming lower-index facets. At a pressure of about ${10}^{\ensuremath{-}6}\phantom{\rule{0.3em}{0ex}}\mathrm{mbar}$ and a temperature of $380\phantom{\rule{0.2em}{0ex}}\ifmmode^\circ\else\textdegree\fi{}\mathrm{C}$ this leads to (331) facets with one-dimensional oxide chains along the steps, coexisting with (111) facets. Further increase of the pressure and temperature results in (111) facets only, covered by an O-Rh-O surface oxide. Our density functional theory calculations provide an atomistic understanding of the observed behavior.