Issue 38, 2020

Simulating facet-dependent aggregation and assembly of distributions of polyhedral nanoparticles

Abstract

Coarse-grained molecular dynamics simulations of diamond nanoparticles were performed to investigate the effects of size polydispersity on three polyhedral shapes chosen to span a diverse space of surface interactions. It was found that the resulting self-assembly was size dependent as the simulations were quenched, with the largest nanoparticles providing a clustered scaffold for subsequent smaller nanoparticle assembly. Additionally, facet–facet interactions were dominated by the {111} surface and the resulting aggregate was dominated by meso-sized porosity for monodisperse systems, broadening to larger diameters for polydisperse systems.

Graphical abstract: Simulating facet-dependent aggregation and assembly of distributions of polyhedral nanoparticles

Supplementary files

Article information

Article type
Paper
Submitted
04 May 2020
Accepted
28 Aug 2020
First published
31 Aug 2020

Nanoscale, 2020,12, 19870-19879

Simulating facet-dependent aggregation and assembly of distributions of polyhedral nanoparticles

G. Opletal, S. L. Chang and A. S. Barnard, Nanoscale, 2020, 12, 19870 DOI: 10.1039/D0NR03470C

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