Spontaneous Formation of Dipolar Metal Nanoclusters
Elizabeth A. Sokol, Sara E. Mason, Valentino R. Cooper, Andrew M. Rappe
Abstract
The adsorption of Ag3 and Ag4 clusters on the α-Al2O3(0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that silver clusters simultaneously form both ionic bonds with surface oxygen and intermetallic bonds with surface aluminum. The simultaneous formation of disparate electronic structure motifs within a single metal nanoparticle is termed a "dipolar nanocluster". This coexistence is ascribed to the similar bond enthalpies of Ag--Al and Ag--O bonds, and its importance for nanoparticle catalysis is highlighted.
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