The effect of size and composition on structural transitions in monometallic nanoparticles

Kevin Rossi*, Luca Pavan, Yee Yeen Soon, Francesca Chiara Maria Baletto

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)

Abstract

Predicting the morphological stability of nanoparticles is an essential step towards the accurate modelling of their chemophysical properties. Here we investigate solid–solid transitions in monometallic clusters of 0.5–2.0 nm diameter at finite temperatures and we report the complex dependence of the rearrangement mechanism on the nanoparticle’s composition and size. The concerted Lipscomb’s Diamond-Square-Diamond mechanisms which connects the decahedral or the cuboctahedral to the icosahedral basins, take place only below a material dependent critical size above which surface diffusion prevails and leads to low-symmetry and defected shapes still belonging to the initial basin.
Original languageEnglish
Article number33
JournalEuropean Physical Journal B
Volume91
Issue number33
Early online date12 Feb 2018
DOIs
Publication statusPublished - Feb 2018

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