Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism

Details Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism

2002-05-09

arxiv.org/abs/physics/0205024v3

Physics

Atomic and Molecular Clusters

9 pages, 4 figures(including 14 eps-files)

Scientific paper

10.1103/PhysRevLett.89.275502

The freezing behavior of gold nanoclusters was studied by employing molecular dynamics simulations based on a semi-empirical embedded-atom method. Investigations of the gold nanoclusters revealed that, just after freezing, ordered nano-surfaces with a fivefold symmetry were formed with interior atoms remaining in the disordered state. Further lowering of temperatures induced nano-crystallization of the interior atoms that proceeded from the surface towards the core region, finally leading to an icosahedral structure. These dynamic processes explain why the icosahedral cluster structure is dominantly formed in spite of its energetic metastability.

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