We present results of Monte Carlo simulation studies utilizing the bond fluctuation model in conjunction with single and configurational biased Monte Carlo moves to investigate the adsorption of diblock ~A–b–B! and alternating ~A–alt–B! copolymers at physically flat surfaces made of an equal number of two chemically different sites, C and D. The adsorption of the copolymer to the surface is dri...

An electric field induced sphere-to-cylinder transition in thin films of asymmetric polystyrene-b-poly(methyl methacrylate) diblock copolymers was observed. In the absence of an applied electric field, thin films of the asymmetric diblock copolymer consisted of layers of spherical microdomains with poor in-plane long-range ordering. Under a ∼40V/μm applied electric field, hexagonally packed cyl...

In this work, the structural features of spherical gold nanoparticles (NPs) decorated with highly grafted poly(styrene) (PS), poly(vinylpyridine) (PVP) and PS-PVP diblock copolymer brushes immersed in a good solvent are investigated by means of Dissipative Particle Dynamics (DPD) simulations as a function of grafted chain length and of homopolymer and copolymer chain composition. For NPs grafte...

A scaling analysis of equilibrium orientation of diblock copolymer molecules on fractal surfaces and a brief comparison with a particular experiment is presented in this paper. This work is motivated by a recent experimental finding that a diblock copolymer film of polystyrene-PMMA, when deposited on a rough substrate, can orient its lamellae from a parallel to a perpendicular configuration dep...

We perform molecular simulations to study the self-assembly of block copolymer tethered cubic nanoparticles. Minimal models of the tethered nanoscale building blocks (NBBs) are utilized to explore the structures arising from self-assembly. We demonstrate that attaching a rigid nanocube to a diblock copolymer affects the typical equilibrium morphologies exhibited by the pure copolymer. Lamellar ...

Well-defined doubly pH-responsive schizophrenic diblock copolymer nanoparticles with tunable isoelectric points are prepared via RAFT aqueous dispersion polymerization using an efficient one-pot protocol.

Using both theory and experiment, we investigate the possibility of creating perfectly ordered block copolymer nanostructures on sparsely patterned substrates. Our study focuses on scrutinizing the appropriate pattern conditions to avoid undesired morphologies or defects when depositing cylinder-forming AB diblock copolymer thin films on the substrates which are mostly neutral with periodic str...

We present a dissipative particle dynamics simulation study on the formation of nanostructures of symmetric diblock copolymers confined between planar surfaces with and without nanopatterns. The nanopatterned surface is mimicked by alternating portions of the surface that interact differently with the diblock copolymers. The formation of the diblock-copolymer nanostructures confined between the...

We report an investigation of the influence of block copolymer architectures on formation of nanophases in epoxy thermosets via reactioninduced microphase separation approach. Toward this end, three binary block copolymers composed of polystyrene (PS) and poly(ε-caprolactone) (PCL) were synthesized via the combination of ring-opening polymerization (ROP) and atomic transfer radical polymerizati...

Au-nanoclusters between 2 and 8 nm in diameter were deposited onto solid substrates in different pattern geometries. The basis of this approach is the self-assembly of polystyrene-b-poly[2-vinylpyridine (HAuCl4)] diblock copolymer micelles into uniform monomicellar films on solid supports such as Si-wafers or glass cover slips. HAuCl4 as metallic precursor or a single solid Au-nanoparticle caus...