Molecular simulation study of self-assembly of tethered V-shaped nanoparticles

Trung Dac Nguyen, Zhenli Zhang, Sharon C. Glotzer

Research output: Contribution to journalArticlepeer-review

29 Scopus citations


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.

Original languageEnglish (US)
Article number244903
JournalJournal of Chemical Physics
Issue number24
StatePublished - 2008

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


Dive into the research topics of 'Molecular simulation study of self-assembly of tethered V-shaped nanoparticles'. Together they form a unique fingerprint.

Cite this