Molecular dynamics simulation of interparticle spacing and many-body effect in gold supracrystals

Nanotechnology
X P LiuL H He

Abstract

Interparticle spacing in supracrystals is a crucial parameter for photoelectric applications as it dominates the transport rates between neighboring nanoparticles (NPs). Based on large-scale molecular dynamics simulations, we calculate interparticle spacing in alkylthiol-stabilized gold supracrystals as a function of the NP size, ligand length and external pressure. The repulsive many-body interactions in the supracrystals are also quantified by comparing the interparticle spacing with that between two individual NPs at equilibrium. Our results are consistent with available experiments, and are expected to help precise control of interparticle spacing in supracrystal devices.

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Citations

Aug 23, 2017·Physical Chemistry Chemical Physics : PCCP·Arzu ÇolakMarie-Paule Pileni
Jul 25, 2017·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Daqing LiuNing Ma
Jan 21, 2019·The Journal of Chemical Physics·Xuepeng LiuHua Zhai
Apr 15, 2020·ACS Nano·Leandro L Missoni, Mario Tagliazucchi
Sep 3, 2021·Nanoscale·Leandro Missoni, Mario Tagliazucchi

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