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Title: Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures

Abstract

Pressure-driven assembly of ligand-grafted gold nanoparticle superlattices is a promising approach for fabricating gold nanostructures, such as nanowires and nanosheets. Optimizing this fabrication method will require extending our understanding of superlattice mechanics to regimes of high pressures. We use molecular dynamics simulations to characterize the response of alkanethiol-grafted gold nanoparticle superlattices to applied hydrostatic pressures up to 15 GPa. At low applied pressures, intrinsic voids govern the mechanics of compaction. As applied pressures increase, the void collapse and ligand compression depend significantly on the ligand length. These microstructural observations correlate directly with trends in bulk modulus and elastic constants. For short ligands, core–core contact between gold nanoparticles is observed at high pressures, which augurs irreversible response and eventual sintering. In conclusion, this presintering behavior was unexpected under hydrostatic loading and is observed only for the shortest ligands.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of New Mexico, Albuquerque, NM (United States)
  3. U.S. Army Research Lab, Aberdeen, MD (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1544800
Report Number(s):
SAND-2019-7838J
Journal ID: ISSN 1932-7447; 677235
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 123; Journal Issue: 28; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY

Citation Formats

Srivastava, Ishan, Peters, Brandon L., Lane, J. Matthew D., Fan, Hongyou, Salerno, K. Michael, and Grest, Gary S. Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures. United States: N. p., 2019. Web. doi:10.1021/acs.jpcc.9b02438.
Srivastava, Ishan, Peters, Brandon L., Lane, J. Matthew D., Fan, Hongyou, Salerno, K. Michael, & Grest, Gary S. Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures. United States. https://doi.org/10.1021/acs.jpcc.9b02438
Srivastava, Ishan, Peters, Brandon L., Lane, J. Matthew D., Fan, Hongyou, Salerno, K. Michael, and Grest, Gary S. 2019. "Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures". United States. https://doi.org/10.1021/acs.jpcc.9b02438. https://www.osti.gov/servlets/purl/1544800.
@article{osti_1544800,
title = {Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures},
author = {Srivastava, Ishan and Peters, Brandon L. and Lane, J. Matthew D. and Fan, Hongyou and Salerno, K. Michael and Grest, Gary S.},
abstractNote = {Pressure-driven assembly of ligand-grafted gold nanoparticle superlattices is a promising approach for fabricating gold nanostructures, such as nanowires and nanosheets. Optimizing this fabrication method will require extending our understanding of superlattice mechanics to regimes of high pressures. We use molecular dynamics simulations to characterize the response of alkanethiol-grafted gold nanoparticle superlattices to applied hydrostatic pressures up to 15 GPa. At low applied pressures, intrinsic voids govern the mechanics of compaction. As applied pressures increase, the void collapse and ligand compression depend significantly on the ligand length. These microstructural observations correlate directly with trends in bulk modulus and elastic constants. For short ligands, core–core contact between gold nanoparticles is observed at high pressures, which augurs irreversible response and eventual sintering. In conclusion, this presintering behavior was unexpected under hydrostatic loading and is observed only for the shortest ligands.},
doi = {10.1021/acs.jpcc.9b02438},
url = {https://www.osti.gov/biblio/1544800}, journal = {Journal of Physical Chemistry. C},
issn = {1932-7447},
number = 28,
volume = 123,
place = {United States},
year = {Thu Jun 20 00:00:00 EDT 2019},
month = {Thu Jun 20 00:00:00 EDT 2019}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 7 works
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Works referencing / citing this record:

Interaction between capped tetrahedral gold nanocrystals: dependence on effective softness
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