Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures

Srivastava, Ishan; Peters, Brandon L.; Lane, J. Matthew D.; Fan, Hongyou; Salerno, K. Michael; Grest, Gary S.

doi:10.1021/acs.jpcc.9b02438

Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures

Journal Article · Thu Jun 20 00:00:00 EDT 2019 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.9b02438· OSTI ID:1544800

^[1]; Peters, Brandon L. ^[1]; ^[1]; Fan, Hongyou ^[2]; ^[3]; ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of New Mexico, Albuquerque, NM (United States)
U.S. Army Research Lab, Aberdeen, MD (United States)

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.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1544800

Report Number(s):: SAND--2019-7838J; 677235

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 28 Vol. 123; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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