Effect of Surface Structure on Shape Transformations of Gold Nanorods
- Author(s)
- Yanting Wang, S Teitel, Christoph Dellago
- Abstract
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(s)
- Computational and Soft Matter Physics
- External organisation(s)
- University of Rochester
- Journal
- Journal of Computational and Theoretical Nanoscience
- Volume
- 4
- Pages
- 282-290
- No. of pages
- 9
- ISSN
- 1546-1955
- DOI
- https://doi.org/10.1166/jctn.2007.013
- Publication date
- 2007
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/a24952e2-baa9-4086-b1d3-ae9f2500a0f6