Structure of neodymia clusters supported on magnesia surfaces

MgO doped with Nd₂O₃ can be used to catalyse the oxidative coupling of methane reaction. Epitaxial microclusters of neodymia have been found to exist on the MgO (100) surface when the doping level of Nd₂O₃ is less than 3 at%. To assist in the interpretation of high resolution micrographs of these features, image simulations using a number of candidate model structures have been carried out. Using two plausible models for the epitaxial relationship between Nd₂O₃ and MgO, our simulations show that the most likely model is based on an incoherent parallel interface.