Nanoparticle ordering via functionalized block copolymers in solution

Rastko Sknepnek, Joshua A. Anderson, Monica H. Lamm, Joerg Schmalian, Alex Travesset

    Research output: Contribution to journalArticlepeer-review

    45 Citations (Scopus)


    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.

    Original languageEnglish
    Pages (from-to)1259-1265
    Number of pages7
    JournalACS Nano
    Issue number6
    Publication statusPublished - Jun 2008


    • Nanoparticle ordering
    • Composites
    • Coarse grained model
    • Behavior
    • End-functionalized block copolymers
    • Nanoparticle/copolymer composites
    • Mixtures
    • Nanostructures
    • Diblock Copolymers
    • Lithography
    • Molecular dynamics simulation
    • Crystals
    • Molecular-Dynamics
    • Arrays


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