Towards an Atomic-Scale Understanding of the Adsorbate-Driven Formation of High-Index Faces

Preferential adsorption takes place at the step ledge between adjacent crystal faces, which usually serve as active sites for breaking chemical bonds. In this paper, we present a structural model to interpret the habit modification of single crystals in terms of the step geometries relationship between crystal faces. A new series of high index faces parallel to the ledge between adjacent facets can be explicitly determined from the presence of...