Molecular Simulations of Gold Nanoparticles Coated With Self-Assembled Alkanethiolate Monolayers; Conference paper

摘要

In order to utilize the novel electrical, magnetic, optical, and physical properties of coated metal nanoparticles, one must be able to efficiently predict the nanoparticle size-dependent properties and to fabricate consistently sized nanoparticles. Both of these goals can be obtained through the use of numerical simulation. In this work the gold nanoparticle and nanoparticle/self-assembled monolayer systems have been analyzed with a physically accurate and computationally efficient numerical simulation. The simulation model and method are described in the following paper.