Epitaxy, truncations, and overhangs in palladium nanoclusters adsorbed on MgO(001)

Phys Rev Lett. 2007 Apr 13;98(15):156101. doi: 10.1103/PhysRevLett.98.156101. Epub 2007 Apr 11.

Abstract

The structure of Pd clusters adsorbed on MgO(001) is determined by a combination of global-optimization methods using semiempirical potentials and density functional calculations. The transition to fcc clusters with (001) epitaxy is shown to take place in the size range 10<or=N<or=15 atoms. Truncations of vertices and basal corners in fcc epitaxial clusters proceed in parallel, while overhangs are already formed at small sizes, below 30 atoms.

Publication types

  • Research Support, Non-U.S. Gov't