Graphoepitaxy for translational and orientational ordering of monolayers of rectangular nanoparticles

TL;DR

This study uses simulations and theory to identify how particle shape and template barriers induce ordered monolayers of rectangular nanoparticles, revealing specific conditions for translational and orientational order.

Contribution

It demonstrates how particle aspect ratio and enthalpic barriers can be tuned to achieve ordered nanoparticle monolayers, combining Monte Carlo simulations with density functional theory.

Findings

Ordered arrays depend on particle size and template spacing.

High enthalpic barriers restrict ordering to specific parameter ranges.

Template pattern multiplication extends to about ten times the particle's smallest dimension.

Abstract

The combinations of particle aspect ratio and enthalpic-barrier templates that lead to translational and orientational ordering of monolayers of rectangular particles are determined using Monte Carlo simulations and density functional theory. For sufficiently high enthalpic barriers, we find that only specific combinations of particle sizes and template spacings lead to ordered arrays. The pattern multiplication factor provided by the template extends to approximately ten times the smallest dimension of the particle.