Two dimensional self-assembly of inverse patchy colloids

TL;DR

This study uses Monte Carlo simulations to explore how inverse patchy colloids self-assemble into various 2D structures depending on patch coverage, revealing stable phases and the influence of patch size on structure polarization.

Contribution

It introduces a detailed analysis of 2D self-assembly of inverse patchy colloids, highlighting the role of patch coverage in determining stable crystal structures and phase behavior.

Findings

Square and triangular crystals stable at 0.5 patch coverage

Rhombic and triangular crystals stable at 0.33 patch coverage

Triangular crystals dominate at low patch coverage (0.22, 0.12)

Abstract

We report on the self-assembly of inverse patchy colloids (IPC) using Monte Carlo simulations in two-dimensions. The IPC model considered in this work corresponds to either bipolar colloids or colloids decorated with complementary DNA on their surfaces, where only patch and non-patch parts attract. The patch coverage is found to be a dominant factor in deciding equilibrium self-assembled structures. In particular, both regular square and triangular crystals are found to be stable at 0.5 patch coverage. Upon decreasing the patch coverage to 0.33, the regular square crystal is destablized; instead rhombic and triangular crystals are found to be stable. At low patch coverages such as 0.22 and 0.12, only triangular crystal is stabilized at high density. Particles of all the patch coverages show kinetically stable cluster phases of different shape and size, and the average cluster sizes are found to strongly depend on the patch coverage and particle density. State-diagrams showing all the stable phases for each patch coverage are presented. Ordered phases are characterized by bond order parameters {\psi}4, {\psi}6 and radial distribution function. The effect on patch coverage on polarization of the stable structures are also studied. The study demonstrates that inverse patchy colloids are potential candidates to form various ordered two-dimensional structures by tuning the size of the patch.