Bonding Trends and Dimensionality Crossover of Gold Nanoclusters on Metal-Supported MgO Thin Films

Davide Ricci, Angelo Bongiorno, Gianfranco Pacchioni, Uzi Landman
2006 Physical Review Letters  
Bonding of gold clusters, Au n n 8, 16, and 20, on MgO(100) and on thin MgO films supported on Mo(100) is investigated using first-principles density-functional theory. Enhanced adhesive bonding is found for clusters deposited on metal-supported MgO films of thickness up to about 1 nm, or 4 to 5 MgO layers, originating from electrostatic interaction between the underlying metal and metal-induced excess electronic charge accumulated at the cluster interface with the oxide film. The increased
more » ... ing propensity is accompanied by a dimensionality crossover from three-dimensional optimal cluster geometries on MgO(100) to energetically favored two-dimensional structures on the metal-supported films.
doi:10.1103/physrevlett.97.036106 pmid:16907518 fatcat:hbmpctzjibeb3ehiuz4jknk2zq