Campus Units
Physics and Astronomy, Ames Laboratory
Document Type
Article
Publication Version
Published Version
Publication Date
5-26-2015
Journal or Book Title
Journal of Physical Chemistry Letters
Volume
6
Issue
12
First Page
2194
Last Page
2199
DOI
10.1021/acs.jpclett.5b00636
Abstract
Discovery and understanding of mechanisms for kinetically controlled growth of metal nanoclusters can be enabled by realistic atomistic-level modeling with ab initio kinetics. KMC simulation of such a model for Au deposition on Ag(100) films reveals the formation of single-atom-wide Au chains below 275 K, even though 2D islands are thermodynamically preferred. Chain formation is shown to reflect a combination of strong linear trio attractions guiding assembly and a weak driving force and slow rate of transformation of 1D chains to 2D islands (or sometimes irreversible rounding of adatoms from chain sides to ends). Behavior can also be tuned by quantum size effects: chain formation predominates on 2-monolayer Ag(100) films supported on NiAl(100) at 250 K for low coverages but not on 1- or 3-monolayer films, and longer chains form than on bulk Ag(100). Our predictive kinetic modeling shows the potential for simulation-guided discovery and analysis of novel self-assembly processes.
Copyright Owner
American Chemical Society
Copyright Date
2015
Language
en
File Format
application/pdf
Recommended Citation
Han, Yong and Evans, James W., "Directing Anisotropic Assembly of Metallic Nanoclusters by Exploiting Linear Trio Interactions and Quantum Size Effects: Au Chains on Ag(100) Thin Films" (2015). Physics and Astronomy Publications. 181.
https://lib.dr.iastate.edu/physastro_pubs/181
Comments
Reprinted (adapted) with permission from Journal of Physical Chemistry Letters 6 (2015): 2194, doi: 10.1021/acs.jpclett.5b00636. Copyright 2015 American Chemical Society.