Palladium nano-clusters on the MgO(1Â 0Â 0) surface: substrate-induced characteristics of morphology and atomic structure

In the present paper, we focus on palladium clusters deposited on the MgO(1 0 0) surface, with special interest in the smallest particle sizes. Using molecular dynamics simulations we analyse the transformation of the free clusters in contact with the substrate and the substrate-induced characteristics of their supported equilibrium morphology. We also report on the existence of well-defined magic numbers, different from those characteristic for free particles, and relate them to the particular features of interaction at the metal/oxide interface.