APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011;
Dallas, Texas
Abstract: H4.00005 : Conjugated Polymer Nanoparticle Hybrids: Structure, Dynamics and Forces
10:24 AM–11:00 AM
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While nanoparticles (NPs) have unique tunable elctro-optical
properties and
exceptional mechanical strength, it remains a challenge to
integrate them
into devices while retaining the advantages of the nanoscale.
Tethering
polymeric materials to the NPs surfaces has the potential to
stabilize
single NPs and direct their assembly. The polymers may serve in
several
capacities from a simple tether to a matrix to directed assembly
tool taking
advantage of the inherent structure of the polymers and as an active
component in a complex material. However confining a large
molecule to a
highly curved surface affects the inherent configuration of the
polymer.
These effects are of particular interests in conjugated
polymer-nanoparticle
hybrids, where the conformation of the polymers affects not only the
assembly of the nanoparticles but also the optical and electronic
communication between the NPs. Using molecular dynamic
simulations we have
studied the structure of a single hybrid of \textit{para} dialkyl
phenylene ethynelyne
(PPE) grafted nanoparticles. PPEs are polymers whose conformation
determines
their degree of conjugation and therefore their electro-optical
response.
Using simulations coupled with neutron scattering studies we have
shown that
PPE is a rigid polymer that is fully extended in dilute solutions
in good
and theta solvents but can be forced into a collapsed
configuration in a
poor a solvent. When confined to a nanoparticle surface, the PPE
chains are
fully extended but cluster as the solvent quality is reduced.
Results for
the conformation of grafted PPE molecules on a single
nanoparticle and the
forces between two nanoparticles as a function of chain length
and solvent
quality will be presented. These simulations provide insight to the
interactions that result in formation of tunable hybrids.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.H4.5