Templated self-assembly of patchy particles

TL;DR

This paper investigates how templated self-assembly can enable the formation of complex patchy particle structures, such as multi-shell and high-symmetry shells, which are difficult to form spontaneously.

Contribution

It demonstrates that templating significantly improves the assembly of complex structures like dodecahedral shells and multi-shell configurations, revealing new pathways for self-assembly.

Findings

Templating facilitates the formation of dodecahedral shells.

Multi-shell structures can be assembled successfully with templating.

Nucleation around a core can inhibit undesired aggregate formation.

Abstract

We explore the use of templated self-assembly to facilitate the formation of complex target structures made from patchy particles. First, we consider the templating of high-symmetry shell structures around a spherical core particle. We find that nucleation around the core particle can inhibit aggregate formation, a process which often hinders self-assembly. In particular, this new assembly pathway allows dodecahedral shells to form readily, whereas these structures never form in the absence of the template. Secondly, we consider the self-assembly of multi-shell structures, where the central icosahedral core is known to form readily on its own, and which could then template the growth of further layers. We are able to find conditions under which two- and three-shell structures successfully assemble, illustrating the power of the templating approach.