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Thus, the strategical use of electrochemically active RMs can provide the advanced solution for future wearable energy storage system.

Non-ionic surfactants containing polyethylene oxide (PEO) chains are widely used in drug formulations, cosmetics, paints, textiles and detergents. High quality molecular dynamics models for PEO surfactants can give us detailed, atomic-scale information about the behavior of surfactant/water mixtures.

We used two molecular dynamics force fields (FFs), 2016H66 and 53A6

, to model the simple non-ionic PEO surfactant, hexaoxyethylene dodecyl ether (C

E

). We investigated surfactant/water mixtures that span the phase diagram of starting from randomly distributed arrangements. In some cases, we also started with prebuilt, approximate models. The simulations results were compared with the experimentally observed phase behavior.

Overall, this study shows that the spontaneous self-assembly of PEO non-ionic surfactants into different colloidal structures can be accurately modeled with MD simulations using the 2016H66 FF although transitions to well-formed hexagonal phase are slow. Of the two FFs investigated, the 2016H66 FF better reproduces the experimental phase behavior across all regions of the C

E

water phase diagram.

Overall, this study shows that the spontaneous self-assembly of PEO non-ionic surfactants into different colloidal structures can be accurately modeled with MD simulations using the 2016H66 FF although transitions to well-formed hexagonal phase are slow. Of the two FFs investigated, the 2016H66 FF better reproduces the experimental phase behavior across all regions of the C12E6/water phase diagram.Exploring high-performance and stable transition metal electrocatalysts is prerequisite for boosting overall water splitting efficiency. In this study, iron (Fe), manganese (Mn) co-doped three-dimensional (3D) Ni3S2 nanoflowers were in situ assembled by many inter-connected 2D nanosheets on nickel foam (NF) via hydrothermal and sulfuration treatment. By virtue of the introduced Fe and Mn elements and unique flower-like structures, the as-prepared catalyst displayed high activity and stability for oxygen evolution reaction (OER), coupled with a small Tafel slope (63.29 mV dec-1) and a low overpotential of 216 mV to reach the current density of 30 mA cm-2. This study would shed some lights for facile synthesis of exceptional OER catalyst by tailoring the electronic structure and doping transition metal(s).The efficient adsorption and activation of inert N2 molecules on a heterogeneous electrocatalyst surface are critical toward electrochemical N2 fixation. Inspired by the bimetallic sites in nitrogenase, herein, we developed a bi-metallic tin-titanium (Sn-Ti) structure in Sn-doped anatase TiO2 via an oxygen vacancy induced engineering approach. Density functional theory (DFT) calculations indicated that Sn atoms were introduced in the oxygen vacancy sites in anatase TiO2 (101) to form Sn-Ti bonds. These Sn-Ti bonds provided both strong σ-electron accepting and strong π-electron donating capabilities, thus serving as both N2 adsorption and catalytic N2 reduction sites. In 0.1 M KOH aqueous solution, the Sn-TiO2 electrocatalyst achieved a NH3 production rate of 10.5 μgh-1cm-2 and a corresponding Faradaic efficiency (FENH3) of 8.36% at -0.45 V vs. reversible hydrogen electrode (RHE). Our work suggests the potential of atomic-scale designing and constructing bimetallic active sites for efficient electrocatalytic N2 fixation.The formation process for planar solid electrolytes in the CeO2-Y2O3 system has been studied using efficient, high-performance, high-resolution microplotter printing technology, using functional ink based on nanopowders (the average size of crystallites was 12-15 nm) of a similar composition obtained by programmed coprecipitation of metal hydroxides. The dependence of the microstructure of the oxide nanoparticles obtained and their crystal structure on yttrium concentration has been studied using a wide range of methods. According to X-ray diffraction (XRD), the nanopowders and coatings produced are single-phase, with a cubic crystal structure of the fluorite type, and the electronic state and content of cerium and yttrium in the printed coatings have been determined using X-ray photoelectron spectroscopy (XPS). The results of scanning electron (SEM) and atomic force microscopy (AFM) have shown that the coatings produced are homogeneous, they do not contain defects in the form of fractures and the height difference over an area of 1 µm2 is 30-45 nm. The local electrophysical characteristics of the oxide coatings produced (the work function of the coating surface, capacitance values, maps of the surface potential and capacitive contrast distribution over the surface) have been studied using Kelvin-probe force microscopy (KPFM) and scanning capacitive microscopy (SCM). Selleckchem MEK inhibitor Using impedance spectroscopy, the dependence of the electrophysical characteristics of printed planar solid electrolytes in the CeO2-Y2O3 system on yttrium content has been determined and the prospects of the technology developed for the manufacture of modern, intermediate-temperature, solid oxide fuel cells have been demonstrated.Recently, the increasing demands of the portable devices and flexible electronics have caused lots of electromagnetic wave pollution. MXene, a novel two-dimensional material, was considered as a promising two-dimensional material for preparing flexible electromagnetic interference (EMI) shielding films. Herein, we firstly synthesized a series of flexible and self-healable EMI shielding waterborne polyurethane (ADWPU) films by mechanically blending with Ti3C2Tx (ADWPU-T). Interestingly, the self-assembling between ADWPU and Ti3C2Tx constructed a tunable analogical structure providing reflection-absorption-multiple reflection shielding mechanism. Furthermore, the ADWPU-T emulsions were prepared from castor oil which is a low-cost and eco-friendly biomass polyol. The chain extender 2-aminophenyl disulfide endow a reversible dynamic polymer network which leading to shape memory performance (45°C heat treatment) and self-healing ability (60°C, 5 min healed). Above all, these multifunctional flexible films also exhibited outstanding EMI shielding performance (51.