Amorphization mechanism of icosahedral metal nanoclusters

E Apra, F Baletto, R Ferrando, A Fortunelli

Research output: Contribution to journalArticlepeer-review

110 Citations (Scopus)


The amorphization mechanism of icosahedral Pt nanoclusters is investigated by a combination of molecular dynamics simulations and density functional calculations. A general mechanism for amorphization, involving rosettelike structural transformations at fivefold vertices, is proposed. In the rosette, a fivefold vertex is transformed into a hexagonal ring. We show that, for icosahedral Pt nanoclusters, this transformation is associated with an energy gain, so that their most favorable structures have a low symmetry even at icosahedral magic numbers, and that the same mechanism underlies the formation of amorphous structures in gold
Original languageEnglish
Article number065502
Pages (from-to)065502-1-065502-4
JournalPhysical Review Letters
Issue number6
Publication statusPublished - 6 Aug 2004


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