Relative stability of icosahedral and cuboctahedral metallic nanoparticles

Myshlyavtsev, A. V. and Stishenko, P. V. 2013. Relative stability of icosahedral and cuboctahedral metallic nanoparticles. Adsorption 19 (2-4) , 795–801. 10.1007/s10450-013-9519-2

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Abstract

The size and form of metallic nanoparticles (NPs) significantly affects their adsorptive, chemical, and catalytic activity. One of the most interesting nanoscale size effects is the transition from icosahedral to octahedral forms with growth in the NP size. We compared the stability of icosahedral, decahedral and cuboctahedral NPs made from eight metals Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au using the local optimization of total energy, which was computed from the tight-binding second moment approximation and quantum Sutton–Chen potentials. The obtained results predicted that the icosahedral form would be most stable for Ni, and least stable for Au. For Rh, and especially for Ir, a strong dependency of the stability of the different forms on the NP size was revealed.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Publisher:	Springer
ISSN:	0929-5607
Last Modified:	04 Oct 2021 10:15
URI:	https://orca.cardiff.ac.uk/id/eprint/143468

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