Croatica Chemica Acta, Vol. 81 No. 2, 2008.
Original scientific paper
Molecular Dynamics Study of Palladium Clusters: Size Dependent Analysis of Structural Stabilities and Energetics of Pdn (n ≤ 40) via a Lennard-Jones Type Potential
Mustafa Böyükata
; Bozok University, Yozgat, Turkey
Jadson C. Belchior
; Universidade Federal de Minas Gerais, Pampulha, Belo Horizonte, Brazil
Abstract
Possible stable structures and energetics of palladium clusters, Pdn (n = 2–40), have been investigated
by performing molecular-dynamics simulations based on a Lennard-Jones type pairpotential.
To determine a preferable growth mechanism, the growing pattern of Pdn clusters
was analyzed via rearrangement collisions and the simple quenching technique. Main observed
results are that palladium clusters prefer three-dimensional structures and spherical clusters of
medium size appear to have five-fold symmetry. The results are compared with those from previous
theoretical studies.
Keywords
cluster; palladium; Lennard-Jones type potentials; Molecular Dynamics
Hrčak ID:
28363
URI
Publication date:
30.6.2008.
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