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Surface effect on the coalescence of Pt clusters: A molecular dynamics study

โœ Scribed by K. Kayhani; K. Mirabbaszadeh; P. Nayebi; A. Mohandesi

Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
292 KB
Volume
256
Category
Article
ISSN
0169-4332

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โœฆ Synopsis

We have performed molecular dynamics simulations for Pt N + Pt N โ†’ Pt 2N (N = 147, 324, 500,792), to investigate the effect of size and substrate on coalescence temperature. Our simulations show that platinum nanoclusters coalesce at the temperatures lower than the cluster melting point. The difference between coalescence and melting temperatures decreases with the increase in cluster size and presence of substrate. These thermal behaviors affect catalytical properties of nanoclusters and the substrate, as an environment, has major effect on activity of metal nanoclusters.

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