Comprehensive Mechanism for CO Electroreduction on Dual-Atom-Catalyst-Anchored N-Doped Graphene

Carbon neutrality has drawn increasing attention for realizing the carbon cyclization and reducing the greenhouse effect. Although the C1 products, such as CO, can be achieved with a high Faraday efficiency, the targeted production of C2 fuels as well as the mechanism have not been systematically investigated. In this work, we carry out a first-principles study to screen dual-atom catalysts (DACs) for producing C2 fuels through the electrocatalytic carbon monoxide reduction reaction (e-CORR). We find that methanol, ethanol and ethylene can be produced on both DAC−Co and DAC−Cu, while acetate can be achieved on DAC−Cu only. Importantly, methanol and ethylene are preferred on DAC−Co, while acetate and ethylene on DAC−Cu. Furthermore, we show that the explicit solvent can enhance the adsorption and influence the protonation steps, which subsequently affects the protonation and dimerization behavior as well as the performance and selectivity of e-CORR on DACs. We further demonstrate that the C−C coupling is easy to be formed and stabilized if the Integrated Crystal Orbital Hamilton Population (ICOHP) is low because of the low energy barrier. Our findings provide not only guidance on the design of novel catalysts for e-CORR, but an insightful understanding on the reduction mechanism.     

Aggregation‐Induced Emission of Hexaphenyl‐1,3‐butadiene

A new type of AIE molecules based on hexaphenyl‐1,3‐butadienes was reported with respect to the synthesis and characterization. This material exhibited different maximum emission wavelength and enhanced emission intensity at different aggregate state (amorphous and crystalline state).     

Study of a Novel Bisnaphthalimidopropyl Polyamine as Electroactive Material for Perchlorate‐selective Potentiometric Sensors

In this work, the new polyamine bisnaphthalimidopropyl‐4,4’‐diaminodiphenylmethane is proposed as a new ionophore for perchlorate potentiometric sensors. The optimal formulation for the membrane comprised of 12 mmol kg^?1 of the ionophore, and 68 % (w/w) of 2‐nitrophenyl phenyl ether as plasticizer and 31 % (w/w) of high molecular weight PVC. The sensors were soaked in water for a week to allow leakage of anionic impurities and for one day in a perchlorate solution (10^?4 mol L^?1) to improve reproducibility due to its first usage. The stability constant for the ionophore‐perchlorate association in the membrane, log β_IL1=3.18±0.04, ensured a performance characterized by the slope of 54.1 (±0.7) mV dec^?1 to perchlorate solutions with concentrations between 1.24×10^?7 and 1.00×10^?3 mol L^?1. The sensors are insensitive to pH between 3.5 to 11.0, they have a practical detection limit of 7.66 (±0.42) ×10^?8 mol L^?1 and a response time below 60 s for solutions with perchlorate concentrations above 5×10^?6 mol L^?1. The accuracy of the results was confirmed by the analysis of the contaminant in a certified reference water sample.     

Two New Triterpene Saponins from the Seed Residue of Hippophae rhamnoides L.

Two new triterpene saponins, named hippophosides E and F ( 1 and 2 , resp.), together with two known compounds, were isolated from the seed residue of Hippophae rhamnoides L. Their structures were elucidated on the basis of chemical and spectral analysis, including 1D‐ and 2D‐NMR and HR‐MS experiments, and by comparison with literature data.     

Effects of anodic oxidation on corrosion properties of Al coating by arc spraying in seawater

A layer of Al coatings was prepared on the S355 steel by arc spraying, which was conducted by anodic oxidation treatment; the morphologies, chemical element compositions and phases of Al coating, and anodic oxide layer were analyzed with field emission scanning electron microscope (FESEM), energy dispersive spectrometer (EDS) and X‐ray diffraction (XRD), respectively. The corrosion protections of Al coating before and after anodic oxidation were discussed with a seawater immersion test; the corrosion resistance mechanisms of Al coating and anodic oxide layer in the seawater were also investigated. The results show that the thickness of Al coating is about 300 µm by arc spraying, the sample surfaces become loose after seawater immersion corrosion and Cl^? and O^2? penetrate into the substrate from the cracks, destroying the binding properties of coating–substrate, and the coating fails. After anodic oxidation, the oxide layer is formed in the surface of Al coating with the thickness of about 30 µm; the corrosion products are mainly composed of Al(OH)₃, which barraged the holes caused by seawater corrosion. The corrosion cracks are formed during the corrosion, while the number and depth of cracks decrease obviously after anodic oxidation treatment. The corrosion of Al coating becomes the local corrosion after anodic oxidation treatment, and the grains are smaller, which are easily nucleated to form a new corrosion resistance layer. Copyright © 2015 John Wiley & Sons, Ltd.     

Interfacial bonding mechanism and bonding strength of AlTiCrN coating by cathodic arc ion plating

AlTiCrN coating was prepared on the surface of YT14 tungsten carbide cutting tools by cathodic arc ion plating with Ti, Al and Cr as targets. The surface morphologies, interface energy spectrum, phase and elements' binding energy of the coatings were observed with SEM, EDS, XRD and XPS, respectively, and bonding strength of the coating interface was measured with scratch tester. The results show that the phases of AlTiCrN coating are mainly composed of AlN, CrN and TiN, the crystal plane of (111) has a strong preferred orientation. The concentrations of Al, Ti, Cr, N in the coating are higher than those in the substrate, showing the gradient diffusion distribution at the bonding interface, while C atoms of the substrate have diffused into the lattices of TiN, AlN and CrN to form an obvious interdiffusion layer, and the average bonding strength of coating interface is 57.65 N. Copyright © 2014 John Wiley & Sons, Ltd.