title: Molecular simulation study of self-assembly of tethered V-shaped nanoparticles.
abstract: We use Brownian dynamics to investigate the self-assembly of single end tethered, laterally tethered, and double end tethered V-shaped nanoparticles. The simulation results are compared with model bent-core molecules without tethers and polymer tethered nanorods to elucidate the combined effects of V-shaped geometry and the immiscibility between the V-shaped nanoparticles and the tethers on the self-assembled structures. We show that the V-shaped geometry significantly alters the phase diagram of tethered nanoparticles and further that the immiscibility between particles and tethers leads to structures not previously predicted for bent-core molecules. Examples of mesophases predicted include honeycomb, hexagonally packed cylinders, and perforated lamellar phases.
authors.affiliation: Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109-2136, USA.
authors.forename: Trung Dac
authors.initials: TD
authors.lastname: Nguyen
authors.forename: Zhenli
authors.initials: Z
authors.lastname: Zhang
authors.forename: Sharon C
authors.initials: SC
authors.lastname: Glotzer