Effect of Surface Structure on Shape Transformations of Gold Nanorods

Autor(en)

Yanting Wang, S Teitel, Christoph Dellago

Abstrakt

Upon heating, elongated gold nanocrystals (nanorods) transform to a shorter and bulkier shape well below melting. Using molecular dynamics simulations, we have studied this process for three different nanorods consisting of about 3000 atoms; the rods have similar shape but different exposed surface facets. Our results show that the shape transformation strongly depends on the particular surface facets covering the nanorods. While nanorods with {111} surfaces maintain their shape and structure up to the melting temperature, those covered with {110} or {100} facets undergo a transformation during which a change in aspect ratio is accompanied by a reorientation of the interior face-centered-cubic lattice. This reorientation leads to a crystal mainly covered with highly stable {111} facets. While the transitions of the rods with {110} and {100} surfaces occur through essentially the same sliding plane mechanism, they are initiated at the surface and at an edge, respectively. Copyright © 2007 American Scientific Publishers. All rights reserved.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

University of Rochester

Journal

Journal of Computational and Theoretical Nanoscience

Band

4

Seiten

282-290

Anzahl der Seiten

9

ISSN

1546-1955

DOI

https://doi.org/10.1166/jctn.2007.013

Publikationsdatum

2007

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/a24952e2-baa9-4086-b1d3-ae9f2500a0f6