Microscopic mechanisms of the growth of metastable silver icosahedra

F Baletto, C Mottet, R Ferrando

Research output: Contribution to journalArticlepeer-review

203 Citations (Scopus)

Abstract

The growth of free silver nanoclusters is investigated by molecular-dynamics simulations up to sizes close to N = 600 atoms on realistic time scales, and in a temperature range from 400 to 650 K. At low and intermediate temperatures, we grow mainly noncrystalline structures, as icosahedra and decahedra. In particular, at N > 200, we obtain that perfectly ordered metastable icosahedra are very likely grown: either by a shell-by-shell mode on a small-size stable icosahedron, or by a complete structural transformation from a decahedron to a metastable icosahedron. The latter mechanism can explain why large silver icosahedra are more abundant than large decahedra in experiments. At high temperatures, crystalline fcc clusters are very frequently grown
Original languageEnglish
Article number155408
Pages (from-to)1554081-15540810
Number of pages13986730
JournalPhysical Review B (Condensed Matter and Materials Physics)
Volume6315
Issue number15
Publication statusPublished - 2001

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