Atomic structure of Pdn (4 ≤ n ≤ 15) nanoclusters

The results of molecular dynamics simulation of the process of atom-by-atom growth of palladium nanoparticles are presented. The structures obtained for the Pd n clusters agree well with the results of the first-principles calculations. The low-symmetry atomic configurations for the structure of the...

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Bibliographic Details
Published in:Physics of the solid state 2010, Vol.52 (2), p.426-430
Main Authors: Mikhaĭlov, E. A., Kosilov, A. T.
Format: Article
Language:English
Subjects:
Fullerenes and Atomic Clusters
Physics
Physics and Astronomy
Solid State Physics
Online Access:Get full text
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Summary:The results of molecular dynamics simulation of the process of atom-by-atom growth of palladium nanoparticles are presented. The structures obtained for the Pd n clusters agree well with the results of the first-principles calculations. The low-symmetry atomic configurations for the structure of the Pd 4 and Pd 13 clusters have been obtained using the semiempirical potentials of the interatomic interaction for the first time.
ISSN:1063-7834
1090-6460
DOI:10.1134/S1063783410020332