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

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