Issue 4, 2018
From the journal:

Inorganic Chemistry Frontiers

AgPd@Pt nanoparticles with different morphologies of cuboctahedron, icosahedron, decahedron, octahedron, and Marks-decahedron: insights from atomistic simulations

Hamed Akbarzadeh, ORCID logo *a   Mohsen Abbaspour,a   Esmat Mehrjoueia  and  Maliheh Kamrania  

* Corresponding authors

a Department of Chemistry, Faculty of Basic Sciences, Hakim Sabzevari University, 96179-76487 Sabzevar, Iran
E-mail: akbarzadehhamed@yahoo.com
Tel: +98 5144013339

Abstract

In this study, the thermal stabilities of trimetallic nanoclusters of AgPd@Pt with different morphologies of cuboctahedron (CO), icosahedron (Ih), decahedron (Dh), octahedron (Oh), and Marks-decahedron (m-Dh) have been investigated using molecular dynamics (MD) simulation. Our results showed that the core@shell nanostructure is unstable in all morphologies before the melting point and the Ag and Pd atoms at the nanocluster core diffuse to the cluster shell to form a mixed pseudo-spherical structure, which is more stable and has lower energy. The MD results also showed that the melting points of AgPd@Pt nanoclusters are dependent on the nanocluster morphology and obey the following trend: m-Dh > Oh > Dh > CO > Ih. It is also shown that the surface effect is the most important effect on the thermal stability of these nanoclusters.

Graphical abstract: AgPd@Pt nanoparticles with different morphologies of cuboctahedron, icosahedron, decahedron, octahedron, and Marks-decahedron: insights from atomistic simulations

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Article information

DOI
https://doi.org/10.1039/C7QI00748E
Article type
Research Article
Submitted
26 Nov 2017
Accepted
05 Feb 2018
First published
05 Feb 2018

Inorg. Chem. Front., 2018,5, 870-878

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AgPd@Pt nanoparticles with different morphologies of cuboctahedron, icosahedron, decahedron, octahedron, and Marks-decahedron: insights from atomistic simulations

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei and M. Kamrani, Inorg. Chem. Front., 2018, 5, 870 DOI: 10.1039/C7QI00748E

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