Nanoparticle ordering via functionalized block copolymers in solution

TitleNanoparticle ordering via functionalized block copolymers in solution
Publication TypeJournal Article
Year of Publication2008
AuthorsSknepnek R, Anderson JA, Lamm MH, Schmalian J, Travesset A
Journal TitleACS Nano
Date Published06
Type of ArticleArticle
ISBN Number1936-0851
Accession NumberISI:000257120800023
KeywordsARRAYS, coarse grained model, composites, crystal, DIBLOCK COPOLYMERS, end-functionalized block copolymers, LITHOGRAPHY, MIXTURES, molecular dynamics, molecular-dynamics, nanoparticle ordering, nanoparticle/copolymer composites, NANOSTRUCTURES, simulation

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.

Alternate JournalACS Nano