Epitaxy, truncations, and overhangs in palladium nanoclusters adsorbed on MgO(001).
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.
Barcaro
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IPCF/CNR, G. Moruzzi 1, Pisa, I56124, Italy.
Fortunelli
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Rossi
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Nita
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Ferrando
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