Related papers: Microphase Segregation in Polyelectrolyte Brushes
Here, we correlate the nanoscale morphology and chemical composition of solid electrolyte interphases (SEI) with the electrochemical property of graphite-based composite electrodes. Using electrochemical strain microscopy (ESM) and X-ray…
We demonstrate that an applied electric field causes piezoelectric distortion across single molecular monolayers of oligopeptides. We deposited self-assembled monolayers ~1.5 nm high onto smooth gold surfaces. These monolayers exhibit…
Transition metal dichalcogenides are 2D structures with remarkable electronic, chemical, optical and mechanical properties. Monolayer and crystal properties of these structures have been extensively investigated, but a detailed…
Elastic microphase separation refers to equilibrium patterns that form by phase separation in elastic gels. Recent experiments revealed a continuous phase transition from the homogeneous phase to a regularly patterned phase, whose period…
We investigate phase-field modeling of brittle fracture in a one-dimensional bar featuring a continuous variation of elastic and/or fracture properties along its axis. Our main goal is to quantitatively assess how the heterogeneity in…
We present a set of molecular dynamics (MD) simulations of strongly charged, flexible polyelectrolyte chains under poor solvent conditions in a salt free solution. Structural properties of the chains and of the solutions are reported. By…
A two PDEs-based model is developed for studies of a morphological and compositional evolution of a thermodynamically stable alloy surface in a strong electric field, assuming different and anisotropic diffusional mobilities of the two…
Polymer brushes have found extensive applications as responsive surfaces, particularly in achieving tunable friction in solvent environments. Despite recent interest in extending this technology to air environments, little is known about…
Phosphorene, a monolayer of black phosphorus (BP), is an elemental two-dimensional material with interesting physical properties, such as high charge carrier mobility and exotic anisotropic in-plane properties. To fundamentally understand…
Interplay of Coulomb interaction energy, free ion entropy, and conformational elasticity is a fascinating aspect in polyelectrolytes (PEs). We develop a theory for complexation of two oppositely charged PEs, a process known to be the…
The use of integrated MicroElectroMechanical systems (MEMS) is recently spread thanks to their improved sensitivity, accuracy and reliability. Accurate preliminary computations born from the need of high precision in the manufacturing…
We report on self-assembly, clustering, and conformational phases of peptides on inorganic semiconductor surfaces. The peptide-covered surface fraction can differ by a factor of 25, depending mainly on surface and peptide polarity. Low…
The behavior of a polyelectrolyte adsorbed on a charged surface of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low ionic strength medium, the transition is first-order…
We combine small angle scattering experiments and simulations to investigate the internal structure and interactions of composite Poly(N-isopropylacrylamide)-Poly(ethylene glycol) (PNIPAM-PEG) microgels. At low temperatures the…
We consider a statistical mechanical model of a generic flexible polyelectrolyte, comprised of identically charged monomers with long range electrostatic interactions, and short-range interactions quantified by a disorder field along the…
We study the effect of the grafted polyelectrolyte layer on the flow dynamics, and its consequences on underlying mixing in the rotating microfluidic channel. For this analysis, the method used by Sadeghi et al. (J. Fluid Mech., vol. 887,…
We report results of a multiscale simulation study of multilayer structures consisting of graphene sheets with embedded Pt nanoparticles. Density functional theory is used to understand the energetics of Pt-graphene interfaces and provide…
We study conformational and electrophoretic properties of polyelectrolytes (PEs) in tetravalent salt solutions under the action of electric fields by means of molecular dynamics simulations. Chain conformations are found to have a sensitive…
This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…
Electrochemical phenomena in biology often unfold in confined geometries where micrometer- to millimeter-scale domains coexist with nanometer-scale interfacial diffuse charge layers. We analyze a model lipid membrane-electrolyte system…