Surface-Driven Bulk Reorganization of Gold Nanorods

Yanting Wang,† S. Teitel,*† and Christoph Dellago‡
Department of Physics and Astronomy, University of Rochester, Rochester, New York 14627, and Institute for Experimental Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria
Nano Lett., 2005, 5 (11), pp 2174–2178
DOI: 10.1021/nl051149h
Publication Date (Web): October 20, 2005
Copyright © 2005 American Chemical Society
†

 University of Rochester.

,
*

 Corresponding author. E-mail:  stte@pas.rochester.edu.

,
‡

 University of Vienna.

Abstract

Abstract Image

Molecular dynamic simulations are used to study the structural stability of gold nanorods upon heating. We show that the global stability of the rod is governed by the free energetics of its surface. In particular, an instability of surface facets nucleates a bulk instability that leads to both surface and bulk reorganization of the rod. The surface reorganizes to form new, more stable, {111} facets, while the underlying fcc lattice completely reorients to align with this new surface structure. Rods with predominantly {111} facets remain stable until melting.

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History

  • Published In Issue November 09, 2005
  • Received June 17, 2005
    Revised Manuscript Received September 28, 2005

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