View Working Paper: Computer Simulations of Block Copolymer Tethered Nanoparticle Self-Assembly
Chan, Elaine, Ho, Lin C. and Glotzer, Sharon C. (2006). Computer Simulations of Block Copolymer Tethered Nanoparticle Self-Assembly. Glotzer group. Depts of Chemical Engineering, Materials Science & Engineering, Macromolecular Science, and Physics, University of Michigan.
We perform molecular simulations to study the self-assembly of block copolymer tethered cubic nanoparticles. Minimal models of the tethered nanoscale building blocks (NBBs) are
utilized to explore the structures arising from self-assembly. We demonstrate that attaching a rigid nanocube to a diblock copolymer affects the typical equilibrium morphologies exhibited by the
pure copolymer. Lamellar and cylindrical phases are observed in both systems but not at the corresponding relative copolymer tether block fractions. The effect of nanoparticle geometry on phase
behavior is investigated by comparing the self-assembled structures formed by the tethered NBBs with those of their linear ABC triblock copolymer counterparts. The tethered nanocubes exhibit the
conventional triblock copolymer lamellar and cylindrical phases when the repulsive interactions between different blocks are symmetric. The rigid and bulky nature of the cube induces interfacial
curvature in the tethered NBB phases compared to their linear ABC triblock copolymer counterparts. We compare our results with those structures obtained from diblock copolymer tethered nanospheres
to further elucidate the role of cubic nanoparticle geometry on self-assembly.
School, Department or Centre
Glotzer group. Depts of Chemical Engineering, Materials Science & Engineering, Macromolecular Science, and Physics
University of Michigan
The following article appeared in J. Chem. Phys. 125, 064905 (2006) and may be found at [DOI: 10.1063/1.2241151] Additional images related to the paper are available through the