Exploring the effects of different immersion environments on the growth of gold nanostructures

Grochola, G, Chui, Y, Snook, I and Russo, S 2006, 'Exploring the effects of different immersion environments on the growth of gold nanostructures', Molecular Simulation, vol. 32, no. 15, pp. 1255-1260.


Document type: Journal Article
Collection: Journal Articles

Title Exploring the effects of different immersion environments on the growth of gold nanostructures
Author(s) Grochola, G
Chui, Y
Snook, I
Russo, S
Year 2006
Journal name Molecular Simulation
Volume number 32
Issue number 15
Start page 1255
End page 1260
Total pages 6
Publisher Taylor and Francis
Abstract Even though Au crystallizes only as a simple FCC structure in bulk there have been many different and fascinating structures discovered experimentally for Au on the nanoscale. Unfortunately, for Au a direct ab-initio approach in studying dynamic growth mechanisms of nanostructures is prohibitively expensive from a computational perspective, so here we use methods based on accurate semi-empirical, many-body potentials whose parameters are obtained from a combination of empirical and ab-initio data as a viable alternative. We show that this method when combined with molecular dynamics may be used to simulate the growth of Au particles in a bath of solvent atoms (either in a gaseous or liquid state) which results in structures of a range of different morphologies. An analysis of the results indicates what characteristics of the solvent and its interactions are important in determining these different morphologies.
Subject Physical Chemistry not elsewhere classified
Keyword(s) Gold nanostructures
Molecular dynamics
Growth mechanisms
Nanoparticles
DOI - identifier 10.1080/08927020600891445
ISSN 0892-7022
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