title: Bonding trends and dimensionality crossover of gold nanoclusters on metal-supported MgO thin films.
abstract: Bonding of gold clusters, , 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 wetting 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.
authors.affiliation: Georgia Institute of Technology, School of Physics, Atlanta, Georgia 30332-0430, USA.
authors.forename: Davide
authors.initials: D
authors.lastname: Ricci
authors.forename: Angelo
authors.initials: A
authors.lastname: Bongiorno
authors.forename: Gianfranco
authors.initials: G
authors.lastname: Pacchioni
authors.forename: Uzi
authors.initials: U
authors.lastname: Landman