PALMER , R. E.

The equilibrium structures and dynamics of a nanoscale system are regulated by a complex potential energy surface (PES). This is a key target of theoretical calculations but experimentally elusive. We report the measurement of a key PES parameter for a model nanosystem: size-selected Au nanoclusters, soft-landed on amorphous silicon nitride...

The first-principles density functional calculations for clusters of coinage metals (Cu, Ag, or Au) were carried out. Amorphous structures as starting point for the geometry optimizations were included in the study. The relationship between the energetics and the structure was also explored. The more stable isomers for all the three coinage...