Supported magnetic nanoclusters:: Soft landing of Pd clusters on a MgO surface -: art. no. 176103

Low-energy deposition of neutral Pd-N clusters (N=2-7 and 13) on a MgO(001) surface F center (FC) was studied by spin-density-functional molecular dynamics simulations. The incident clusters are steered by an attractive funnel created by the FC, resulting in adsorption of the cluster, with one of its atoms bonded atop of the FC. The deposited Pd-2-Pd-6 clusters retain their gas-phase structures, while for N > 6 surface-commensurate isomers are energetically more favorable. Adsorbed clusters with N > 3 are found to remain magnetic at the surface.