Self-Assembly of Polymer-Tethered Nanorods

Abstract

We present results of molecular simulations that predict the phases formed by self-assembly of nanorods functionalized by a polymer "tether." Microphase separation of the immiscible tethers and rods coupled with the liquid crystal ordering of the rods induces the formation of a cubic phase, a smectic C phase, a tetragonally perforated lamellar phase, and a honeycomb phase; the latter two have been observed experimentally but have not been predicted. We also predict a new phase--a racemic mixture of hexagonally ordered chiral cylinders that self-assemble from these achiral building blocks.