skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: The surface structure of silver-coated gold nanocrystals and its influence on shape control

Authors:
; ; ; ; ; ;  [1];  [2];  [2]
  1. (NWU)
  2. (
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
NSFFOREIGN
OSTI Identifier:
1214865
Resource Type:
Journal Article
Resource Relation:
Journal Name: Nat. Commun.; Journal Volume: 6; Journal Issue: 2015
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Padmos, J. Daniel, Personick, Michelle L., Tang, Qing, Duchesne, Paul N., Jiang, De-en, Mirkin, Chad A., Zhang, Peng, Dalhousie U.), and UCR). The surface structure of silver-coated gold nanocrystals and its influence on shape control. United States: N. p., 2016. Web. doi:10.1038/ncomms8664.
Padmos, J. Daniel, Personick, Michelle L., Tang, Qing, Duchesne, Paul N., Jiang, De-en, Mirkin, Chad A., Zhang, Peng, Dalhousie U.), & UCR). The surface structure of silver-coated gold nanocrystals and its influence on shape control. United States. doi:10.1038/ncomms8664.
Padmos, J. Daniel, Personick, Michelle L., Tang, Qing, Duchesne, Paul N., Jiang, De-en, Mirkin, Chad A., Zhang, Peng, Dalhousie U.), and UCR). 2016. "The surface structure of silver-coated gold nanocrystals and its influence on shape control". United States. doi:10.1038/ncomms8664.
@article{osti_1214865,
title = {The surface structure of silver-coated gold nanocrystals and its influence on shape control},
author = {Padmos, J. Daniel and Personick, Michelle L. and Tang, Qing and Duchesne, Paul N. and Jiang, De-en and Mirkin, Chad A. and Zhang, Peng and Dalhousie U.) and UCR)},
abstractNote = {},
doi = {10.1038/ncomms8664},
journal = {Nat. Commun.},
number = 2015,
volume = 6,
place = {United States},
year = 2016,
month = 6
}
  • Understanding the surface structure of metal nanocrystals with specific facet indices is important due to its impact on controlling nanocrystal shape and functionality. However, this is particularly challenging for halide-adsorbed nanocrystals due to the difficulty in analysing interactions between metals and light halides (for example, chloride). Here we uncover the surface structures of chloride-adsorbed, silver-coated gold nanocrystals with {111}, {110}, {310} and {720} indexed facets by X-ray absorption spectroscopy and density functional theory modelling. The silver–chloride, silver–silver and silver–gold bonding structures are markedly different between the nanocrystal surfaces, and are sensitive to their formation mechanism and facet type. A uniquemore » approach of combining the density functional theory and experimental/simulated X-ray spectroscopy further verifies the surface structure models and identifies the previously indistinguishable valence state of silver atoms on the nanocrystal surfaces. Overall, this work elucidates the thus-far unknown chloride–metal nanocrystal surface structures and sheds light onto the halide-induced growth mechanism of anisotropic nanocrystals.« less
  • Although a number of computational studies have examined the relative stability of icosahedral and decahedral gold clusters from 1 to 3 nm in size, few studies have focussed on the variety of face-centered cubic (fcc)nanoparti cles in this size regime. In most cases small fcc gold particles are assumed to adopt the truncated octahedral shape, but in light of the fact that the shape and structure of gold nanoparticles is known to vary, the relative stability of fcc polyhedra may change with size. Presented here are results of first-principles calculations investigating the preferred shape of gold particles less than 3more » nm in size. Our results indicate that the equilibrium shape of fcc gold nanoparticles less than 1 nm is the cuboctahedron, but this shape rapidly becomes energetically unstable with respect to the truncated octahedron, octahedron and truncated cube shapes as the size increases.« less