Self-assembly of monodisperse clusters: Dependence on target geometry

TL;DR

This study investigates how the geometry of target structures influences the self-assembly process of patchy particles, revealing that some shapes assemble more readily due to their thermodynamic and kinetic properties.

Contribution

It demonstrates the dependence of monodisperse self-assembly success on target geometry using a simple model system, highlighting differences in assembly pathways and energy landscapes.

Findings

Tetrahedra, octahedra, and icosahedra assemble easily.

Cubes are more challenging to assemble.

Dodecahedra do not assemble under the studied conditions.

Abstract

We apply a simple model system of patchy particles to study monodisperse self-assembly, using the Platonic solids as target structures. We find marked differences between the assembly behaviours of the different systems. Tetrahedra, octahedra and icosahedra assemble easily, while cubes are more challenging and dodecahedra do not assemble. We relate these differences to the kinetics and thermodynamics of assembly, with the formation of large disordered aggregates a particular important competitor to correct assembly. In particular, the free energy landscapes of those targets that are easy to assemble are funnel-like, whereas for the dodecahedral system the landscape is relatively flat with little driving force to facilitate escape from disordered aggregates.