A theoretical study of size and temperature dependent morphology transformations in gold nanoparticles

Publisher:
Elsevier BV
Publication Type:
Journal Article
Citation:
Chemical Physics Letters, 2009, 474 (1-3), pp. 115 - 118
Issue Date:
2009-01
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Using a newly developed gold Embedded Atom Model potential we conducted molecular dynamics simulations of inert gas aggregation type nanoparticle growth to investigate morphology transformations during the growth process. Our simulations reveal a size and temperature dependent mechanism whereby nanoparticles of Marks decahedron (m-Dh) morphology are transformed to icosahedron (Ih) nanoparticles via a solid-state process. The findings provide a theoretical explanation for recent experimental population statistics of gold nanoparticles produced by inert gas aggregation methods and may assist in developing methods for producing highly uniform nanoparticle morphologies
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