Nanoparticle ordering via functionalized block copolymers in solution

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

doi:10.1021/nn8001449

Nanoparticle ordering via functionalized block copolymers in solution

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

Research output: Contribution to journal › Article › peer-review

49 Citations (Scopus)

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.

Original language	English
Pages (from-to)	1259-1265
Number of pages	7
Journal	ACS Nano
Volume	2
Issue number	6
DOIs	https://doi.org/10.1021/nn8001449
Publication status	Published - Jun 2008

Keywords

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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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.",

keywords = "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",

author = "Rastko Sknepnek and Anderson, \{Joshua A.\} and Lamm, \{Monica H.\} and Joerg Schmalian and Alex Travesset",

year = "2008",

month = jun,

doi = "10.1021/nn8001449",

language = "English",

volume = "2",

pages = "1259--1265",

journal = "ACS Nano",

issn = "1936-0851",

publisher = "American Chemical Society",

number = "6",

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TY - JOUR

T1 - Nanoparticle ordering via functionalized block copolymers in solution

AU - Sknepnek, Rastko

AU - Anderson, Joshua A.

AU - Lamm, Monica H.

AU - Schmalian, Joerg

AU - Travesset, Alex

PY - 2008/6

Y1 - 2008/6

N2 - 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.

AB - 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.

KW - Nanoparticle ordering

KW - Composites

KW - Coarse grained model

KW - Behavior

KW - End-functionalized block copolymers

KW - Nanoparticle/copolymer composites

KW - Mixtures

KW - Nanostructures

KW - Diblock Copolymers

KW - Lithography

KW - Molecular dynamics simulation

KW - Crystals

KW - Molecular-Dynamics

KW - Arrays

U2 - 10.1021/nn8001449

DO - 10.1021/nn8001449

M3 - Article

C2 - 19206343

SN - 1936-0851

VL - 2

SP - 1259

EP - 1265

JO - ACS Nano

JF - ACS Nano

IS - 6

ER -

Nanoparticle ordering via functionalized block copolymers in solution

Abstract

Keywords

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