Spontaneous Formation of Dipolar Metal Nanoclusters

Details Spontaneous Formation of Dipolar Metal Nanoclusters Spontaneous Formation of Dipolar Metal Nanoclusters

2006-10-24

arxiv.org/abs/cond-mat/0610678v1

Physics

Condensed Matter

Materials Science

Scientific paper

The adsorption of Ag$_3$ and Ag$_4$ clusters on the $\alpha$-Al$_2$O$_3$(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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