Ultrathin Alumina Film Al-Sublattice Structure, Metal Island Nucleation at211 Terrace Point Defects, and How Hydroxylation Affects Wetting

摘要

In this paper, we include for discussion three topics of current interest in211u001emetal oxide surface science. Using first principles density functional theory 211u001e(DFT) (1) calculations, we have investigated: (1) the atomic-scale structure of 211u001eexperimentally-relevant ultrathin alumina films, (2) the role of common point 211u001edefects in metal island nucleation on oxide terraces, and (3) the growth and 211u001emorphology of metals on oxide surfaces which have high concentrations of a common 211u001eimpurity.