Electrohydrodynamic Printing Grid-Structured Catalytic Layers with Excellent Bending Resistance for Flexible Al-air Batteries.

The catalytic film of a flexible Al-air battery is generally a brittle film formed by brushing a slurry onto the surface of carbon cloth. Fatigue bending can easily lead to cracking of the catalytic film and shedding of the active material. This study innovatively proposes a novel grid-structured catalytic layer prepared by electrohydrodynamic printing.

Giant flexoelectric response of uniformly dispersed BT-PVDF composite films induced by SDS-assisted treatment.

Polymer-ceramic composites are commonly used as flexoelectric films. In existing studies, the flexoelectric effect of composites are generally improved by adjusting the material structures or adding ferroelectric materials. Further improvement of flexoelectric response has encountered a bottleneck.

Ultrathin Al-air batteries by reducing the thickness of solid electrolyte using aerosol jet printing.

Flexible Al-air batteries have great potential in the field of wearable electronic devices. However, how to reduce the thickness of the battery and improve their applicability in wearable applications is still an unresolved thorny problem. Therefore, this article focuses on the strategies to minimize the thickness of the solid electrolyte for flexible Al-air batteries.

High performance polypyrrole/SWCNTs composite film as a promising organic thermoelectric material.

Conducting polymer thermoelectric (TE) materials have received great attention due to their unique properties. In this work, polypyrrole (PPy)/single-walled carbon nanotubes (SWCNTs) composite films with improved TE performance have been prepared by chemical interfacial polymerization at the cyclohexane/water interface under a controlled temperature. Attributed to the smooth surface, higher conjugation length and more ordered molecular structure of the interfacial polymerized PPy film, the electrical conductivity can be as high as ∼500 S cm.

Inhibition of Hydrogen Evolution by a Bifunctional Membrane between Anode and Electrolyte of Aluminum-Air Battery.

The hydrogen evolution reaction of the anode is a severe barrier that limits the further commercial application of Al-air batteries. Therefore, this study introduces a bifunctional membrane for the inhibition of hydrogen evolution in Al-air batteries. The reference to AlO@PAN as "bifunctional" means that it has both hydrophobic and anti-corrosion functions.

Fabrication of Ag micro-particles based on stress-induced migration by using multilayered structure with artificial holes array.

Silver micro/nanomaterials have attracted a great deal of attention due to their superior physicochemical properties. The atomic migration driven by electromigration or stress-induced migration has been demonstrated to be a promising method for the fabrication of metallic micro-/nanomaterials because of the advantage of simple processing. However, how to realize the controllable fabrication and mass production is still the critical technical problem for the method to be used in large-scale industrial applications.

Directly Electrospun Carbon Nanofibers Incorporated with MnO Nanoparticles as Bending-Resistant Cathode for Flexible Al-Air Batteries.

Al-air batteries are regarded as potential power source for flexible and wearable devices. However, the traditional cathodes of Al-air batteries are easy to be broken after continuous bending. This is why few Al-air batteries have been tested under the state of dynamic bending so far.

Transport of polymer-modified nanoparticles in nanochannels coated with polymers.

Using molecular dynamics simulations based on explicit-solvent model, we study migration of polymer-modified nanoparticles through nanochannels coated with polymers. The polymers densely grafted on the spherical nanoparticle and the channel surface form spherical polymer brush (SPB) and planar polymer brush (PPB), respectively. The migration of the neutral polymer-modified nanoparticle is driven by electroosmotic flow (EOF).

Current-Induced Changes of Surface Morphology in Printed Ag Thin Wires.

Current-induced changes of surface morphology in printed Ag thin wires were investigated by current stressing tests and numerical simulation. The samples were printed Ag thin wires on a flexible substrate with input and output pads. Different experimentalresults were obtainedthroughchangingthe current density after current supply and the mechanism of those phenomena were investigated by numerical simulations based on the method of atomic flux divergence.

Effect of Counterion Valence on Conformational Behavior of Spherical Polyelectrolyte Brushes Confined between Two Parallel Walls.

We study the conformational behavior of spherical polyelectrolyte brushes in the presence of monovalent and trivalent counterions in a confined environment. The confinement is exerted by two parallel walls on the brushes. The enhancement of the confinement induces the extension of grafted chains.

Ion-Specific Effects on the Elongation Dynamics of a Nanosized Water Droplet in Applied Electric Fields.

We report an all-atom molecular dynamics study of the structures and dynamics of salty water droplets on a silicon surface under the influence of applied electric field. Our simulation results support ion-specific effects on the elongation dynamics of salty nanodroplets, induced by the field. This feature has not been explored up to now in monovalent salts.

Force field development for organic molecules: modifying dihedral and 1-n pair interaction parameters.

We comprehensively illustrate a general process of fitting all-atom molecular mechanics force field (FF) parameters based on quantum mechanical calculations and experimental thermodynamic data. For common organic molecules with free dihedral rotations, this FF format is comprised of the usual bond stretching, angle bending, proper and improper dihedral rotation, and 1-4 scaling pair interactions. An extra format of 1-n scaling pair interaction is introduced when a specific intramolecular rotation is strongly hindered.

Translocation of nanoparticles through a polymer brush-modified nanochannel.

A basic understanding of the transport mechanisms of nanostructures in a polymer brush-modified nanochannel as well as the brush-nanostructure interactions at molecular level is important to design and fabricate emerging smart nano/microfluidic channels. In this work, we report coarse-grained molecular dynamics simulations of the translocation of nanoparticles through a cylindrical nanochannel coated with the polymer brush. The effects of the interparticle interaction and grafting density on the distribution and electrokinetic transport of nanoparticles are addressed in detail.

Effects of chain stiffness and salt concentration on responses of polyelectrolyte brushes under external electric field.

We report a molecular dynamics study on non-equilibrium dynamics of polyelectrolyte brushes under external electric fields. In this work, the effects of chain stiffness and salt concentration on static and dynamic responses of the brushes are addressed in detail. Our simulations indicate that varying these parameters induce rich electro-responsive behavior of the brushes.

Electrostatic binding of oppositely charged surfactants to spherical polyelectrolyte brushes.

We use Brownian dynamics (BD) simulations to investigate the formation and structural characteristics of the complex between a spherical polyelectrolyte brush (SPB) and oppositely charged surfactants. Increasing the amount of added surfactants leads to a collapsed conformation of the SPB and the number of adsorbed surfactants exhibits a linear dependence. Nevertheless, the surfactant uptake into the SPB does not increase with further addition of surfactants.

Thermodynamics of nucleosomal core particles.

In this paper, a numerically detailed thermodynamic investigation of nucleosomal core particles is presented. The nonlinear Poisson-Boltzmann equation governs the electrostatic properties of both the DNA and histone protein. Brownian dynamics is used as the leading method, in combination with the analysis of the electrical features of the nucleosome.