Mechano-Chemical Stability of Gold Nanoparticles Coated With Alkanethiolate SAMs

Abstract

Molecular dynamics simulations are used to probe the structure and stability of alkanethiolate self-assembled monolayers (SAMs) on gold nanoparticles. We have observed that the surface of gold nanoparticles becomes highly corrugated by the adsorption of the SAMs. Furthermore, as the temperature is increased, the SAMs dissolve into the gold nanoparticle, creating a liquid mixture at temperatures much lower than the melting temperature of the gold nanoparticle. By analyzing the mechanical and chemical properties of gold nanoparticles at temperatures below the melting point of gold, with different SAM chain lengths and surface coverage properties, we have determined that the system is metastable. The model and computational results that provide support for this hypothesis are presented.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2009
Accession Number
ADA596696

Entities

People

  • Brian J. Henz
  • Michael R. Zachariah
  • Takumi Hawa

Organizations

  • United States Army Research Laboratory

Tags

DTIC Thesaurus Topics

  • Chemical Properties
  • Chemical Stability
  • Computer Simulations
  • Crystal Lattices
  • Crystal Structure
  • Diffusion Coefficient
  • Dynamics
  • Heat Capacity
  • Materials
  • Melting
  • Molecular Dynamics
  • Phase Transformations
  • Physical Properties
  • Pressure Distribution
  • Self Assembled Monolayers
  • Simulations
  • Specific Heat

Fields of Study

  • Chemistry

Readers

  • Nanocomposite Materials Science
  • Polymer Science and Technology

Technology Areas

  • Biotechnology