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The variable coordination behavior of 2-[(2-hydroxy-3-methoxybenzyl)imino]methyl-6-methoxyphenol (H2L) and its hydrolyzed congener towards NiCl2·6H2O and LnIII nitrate salts provides a family of coordination aggregates containing an [Ni5Ln3] octanuclear core structure. Room temperature reactions in MeOH-CHCl3 medium and in the presence of NEt3 yielded isostructural [Ni5Ln3(L)4(μ-OH)2(μ3-OH)6(o-val)2(H2O)6]NO3·7H2O (Ln = Dy3+ (1), Tb3+ (2), and Ho3+ (3); o-val = o-vanillin) heterometallic complexes. All the three complexes hold an octanuclear fused partial hexacubane topology from the utilization of phenolate-based ligand anions, clipping five 3d and three 4f ions. Direct current magnetic susceptibility measurements showed an upsurge at low temperature for complexes 1 and 2, indicative of ferromagnetic interactions, while antiferromagnetic exchange interaction predominates for complex 3. AC magnetic susceptibility measurements were not able to show any slow relaxation property to the magnetization. CASSCF calculations for complex 1 indicate that all three Dy3+ centres have anisotropic axes but the relative orientation of the magnetic axes reduces the probability of this molecule to behave like an SMM which is further established by the POLY_ANISO calculations.Layered molecular structure explosives have the characteristic of great thermal stability. Understanding the mechanism of thermal stability and the reactions of layered molecular structure explosives can provide new ideas for the design of thermally stable explosives. selleck compound In a molecular dynamics simulation of thermal decomposition of the layered molecular structure explosive 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide, we find that the layered molecular structure provides free space for chemical bond deflection and expansion so that the external energy absorbed by chemical bonds on nonbenzene rings can be converted into angle bending energy and bond-stretching energy, which makes chemical bonds difficult to break and increases the thermal stability of the explosives. In the layered molecular structure explosive reactions, hydrogen-oxygen-bonded interlayer dimerizations and hydrogen interlayer transfer reactions are dominant.This fundamental work investigated the removal of sodium dodecyl sulfate (SDS) from highly concentrated samples by electromembrane extraction (EME). SDS concentrations were in the range of 0.1-1.0% w/v, covering both sub- and super-critical micellar concentrations (CMC). Under optimal conditions, we extracted SDS from 100 μL aqueous sample, through 3 μL supported liquid membrane (SLM) and into 200 μL 10 mM NaOH in water as waste solution. The SLM comprised 1.0% w/w Aliquat 336 in 1-nonanol, and extraction voltage was 5 V. From 0.1% SDS samples, EME removed 100% during 30 minutes operation (100% clearance). SDS concentration above the critical micellar concentration (CMC) challenged the capacity of the system. Thus, to reach 100% clearance from 0.5% samples, we extracted for 120 minutes and replenished the SLM after 60 minutes. Increasing the membrane area of the SLM from 28 mm2 to 43 mm2 provided 100% clearance from 0.5% samples after 30 min EME. Complete clearance of 1.0% SDS samples was not achieved under the tested conditions, and maximal clearance was 60%. Mass balance experiments demonstrated that most of the removed SDS is trapped in the SLM, rather than transferring to the waste solution. For super-CMC samples, aggregation of SDS in the SLM exceeded the SLM capacity and impeded further mass transfer.Hole injection governs the efficiency of ultraviolet organic light-emitting diodes (UV OLEDs) due to the deep highest occupied molecular orbital level of the emissive molecule. Tungsten oxides (WOx), transition metal oxides with high work functions and good stability, cast light on solving this problem. By a low-cost, scalable and high-throughput manufacturing process, herein the facile synthesis of a WOx solution and its doping in poly(3,4-ethylenedioxythiophene)poly(styrenesulfonate) (PEDOTPSS + WOx) is systematically investigated for assembling efficient UV OLEDs. X-ray diffraction, atomic force microscopy, scanning electron microscopy and X-ray photoelectron spectroscopy measurements confirm that WOx and PEDOTPSS + WOx have good film morphology and exceptional electronic properties, such as the oxygen deficiency dominated non-stoichiometry of WOx. With PEDOTPSS + WOx tailoring hole injection and 2-(4-biphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole as the emitter, the UV OLEDs show outstanding electro-optic performance, with a radiance of 3.98 mW cm-2, external quantum efficiency of 2.30%, electroluminescence peak at 400 nm and full width at half maximum of 47 nm, which is superior to the performance of the corresponding reference materials. The mechanism of charge transfer from the PEDOT polycation to WOx, enhancing conductivity, is responsible for the robust hole injection/transport and is further elucidated by ultraviolet photoelectron spectroscopy and impedance spectroscopy, contributing to the optimization of the carrier balance and recombination zone. Our results illustrate an alternative approach for boosting UV OLED performance and advancing organic electronics.Commercial nickel nanoparticles (Ni NPs) were directly converted to efficient electrocatalysts for CO2 reduction by urea-Ni solid powder pyrolysis, in which a Ni, N-co-doped graphite carbon shell wraps the Ni NPs in situ. 98.3% CO selectivity was realized with a current density of -20.2 mA cm-2 and an overpotential of 0.69 V.Droplets moving on solid surfaces are at the heart of many phenomena of fundamental and applied interest in chemistry, physics and materials science. On the fundamental side, as they are often subject to evaporation, these droplets are a beautiful and complex example of non-equilibrium physical chemistry, whose explanation and understanding still capture the imagination of multiple researchers around the world. In technology, droplets on solid surfaces are of widespread use for handling small amounts of matter, for harvesting energy, for manufacturing materials and for sensing chemical and biological analytes. A key underlying factor of their widespread applicability is the degree of control that can be achieved over their transport on surfaces. This tutorial review provides an overview of recent progress towards the programmable transport of droplets on solid surfaces. We will first present the physical principles behind the main experimental strategies for droplet transport. We will then review the most inspiring applications where these strategies have been employed in chemistry, materials science and engineering.
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