title: Nanoparticle ordering via functionalized block copolymers in solution.
abstract: We consider nanoparticles and functionalized copolymers, block copolymers with attached end groups possessing a specific affinity for nanoparticles, in solution. Using molecular dynamics, we show that nanoparticles are able to direct the self-assembly of the polymer/nanoparticle composite. We perform a detailed study for a wide range of nanoparticle sizes and concentrations. We show that the nanoparticles order in a number of distinct phases: simple cubic, layered hexagonal, hexagonal columnar, gyroid, and a novel square columnar. Our results show that nanoparticles ordered with functionalized block copolymers can provide a simple and efficient tool for assembling novel materials with nanometer scale resolution.
authors.affiliation: Department of Physics and Astronomy, Iowa State University and Ames Laboratory, Ames, Iowa 50011, USA. sknepnek@ameslab.gov
authors.forename: Rastko
authors.initials: R
authors.lastname: Sknepnek
authors.forename: Joshua A
authors.initials: JA
authors.lastname: Anderson
authors.forename: Monica H
authors.initials: MH
authors.lastname: Lamm
authors.forename: Jörg
authors.initials: J
authors.lastname: Schmalian
authors.forename: Alex
authors.initials: A
authors.lastname: Travesset
mesh_terms: D003198:Computer Simulation; D003460:Crystallization / Q000379:methods*; D046911:Macromolecular Substances / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D036103:Nanotechnology / Q000379:methods; D010316:Particle Size; D044367:Phase Transition; D011108:Polymers / Q000737:chemistry*; D013499:Surface Properties; D014025:Titanium / Q000737:chemistry*
chemical_list: D046911:Macromolecular Substances; D011108:Polymers; C009495:titanium dioxide; D014025:Titanium