A vanadium-based oxide-phosphate-pyrophosphate framework as a 4 V electrode material for K-ion batteries

K-ion batteries (KIBs) are promising for large-scale electrical energy storage owing to the abundant resources and the electrochemical specificity of potassium. Among the positive electrode materials for KIBs, vanadium-based polyanionic materials are interesting because of their high working voltage and good structural stability which dictates the cycle life. In this study, a potassium vanadium oxide phosphate, K₆(VO)₂(V₂O₃)₂(PO₄)₄(P₂O₇), has been investigated as a 4 V class positive electrode material for non-aqueous KIBs. The material is synthesized through pyrolysis of a single metal–organic molecular precursor, K₂[(VOHPO₄)₂(C₂O₄)] at 500 °C in air. The material demonstrates a reversible extraction/insertion of 2.7 mol of potassium from/into the structure at a discharge voltage of ∼4.03 V vs. K. Operando and ex situ powder X-ray diffraction analyses reveal that the material undergoes reversible K extraction/insertion during charge/discharge via a two-phase reaction mechanism. Despite the extraction/insertion of large potassium ions, the material demonstrates an insignificant volume change of ∼1.2% during charge/discharge resulting in excellent cycling stability without capacity degradation over 100 cycles in a highly concentrated electrolyte cell. Robustness of the polyanionic framework is proved from identical XRD patterns of the pristine and cycled electrodes (after 100 cycles).

Highly pure K₆(VO)₂(V₂O₃)₂(PO₄)₄(P₂O₇), synthesized from the oxalatophosphate precursor, demonstrates a reversible potassium extraction/insertion capacity of 59 mA h g⁻¹ with a single discharge voltage plateau at 4.0 V at room temperature.     

Molecular Structure of (1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)(4-bromophenyl) methanone: A Combined Experimental and Theoretical Study

One-pot three component reaction was used to synthesize 1,4,5-trisubstituted 1,2,3-triazole(A) from the corresponding acid chloride, benzyl azide and 1-copper(I) phenylethyne. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the orthorhombic space group Pbca, a = 14.9815(14), b = 9.6496(10), c = 25.528(2) A, Z = 8. Furthermore, crystal packing demonstrated a molecular wall-like structure based on supramolecular chains of A, stabilized by CH···O, CH···Br, N···C and CH···π interactions. Molecular geometry in the ground state has been determined by density functional theory(DFT) by B3LYP/6-311G* basis set and compared with the experimental data. The computed vibrational frequencies are compared with the experimental FT-IR data and frontier molecular orbital analyses were performed at the same level of theory. Theoretical parameters are in good agreement with the corresponding X-ray diffraction values.     

Numerical and analytical solutions of an Oldroyd 8‐constant MHD fluid with nonlinear slip conditions

The flow of an Oldroyd 8‐constant non‐Newtonian MHD fluid is investigated analytically and numerically. The governing equations for the flow field are derived for a steady one‐dimensional flow. The effect of constant applied magnetic field is included and its influence on the flow field is studied. The nonlinear governing equation along with nonlinear boundary conditions is solved analytically and the solution is obtained in an elegant way. Numerical solutions are also obtained using higher order Chebyshev spectral methods. The influence of various non‐Newtonian parameters and applied magnetic field is investigated. Results showing the effect of various physical parameters of the flow are presented and investigated. Copyright © 2010 John Wiley & Sons, Ltd.     

Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity,and in silico studies on ibuprofen derivatives

Molecular Diversity - Novel ibuprofen derivatives 1–19 including ibuprofen hydrazide 1, and substituted thiourea derivatives 2–19 were synthesized and characterized by EI-MS, FAB-MS,...     

Coordination of a two-level supply chain with contracts

4OR - We consider the coordination of planning decisions of a single product in a supply chain composed of one supplier and one retailer, by using contracts. We assume that the retailer has the...     

Annealing properties of a pre-irradiation annealed plastic track detector

The studies regarding the annealing properties of a pre-irradiation annealed Makrofol N track detector showed that under “moderate annealing conditions”, the maximum etched track length l_max, can be increased. The increase becomes maximum at pre- and post-irradiation annealing temperatures of 80°C and 60°C respectively.     

Simulation of heat and mass transfer on peristaltic flow of hyperbolic tangent fluid in an asymmetric channel

In the present analysis, the influence of heat and mass transfer on the peristaltic flow of a hyperbolic tangent fluid in an asymmetric channel has been discussed. The highly nonlinear equations are simplified under lubrication approach. The perturbation and numerical solutions of the problem are not only discussed but the validity of the results is also being checked. The graphical results of the problem under discussion are also being brought under consideration to see the behavior of various physical parameters. Copyright © 2012 John Wiley & Sons, Ltd.     

Surfactants Synthesis Using Petroleum Fractions and Crude Oil: Application in Microemulsion Formulation

Surfactant synthesis was realized from Algerian crude oil and petroleum fractions. To predict the composition (wt%) in paraffins, naphtenes, and aromatics, the crude oil and petroleum fractions were first characterized using the n-d-PA empirical method of Robert. The characterization showed a good level in aromatics compounds which give high yield in the sulfonation reaction by oleum. The synthesized surfactants were characterized by spectroscopic techniques (UV, FTIR) and by critical micelle concentration (CMC), Krafft temperature, solubility (in aqueous and in salt solution), molecular weight, and matter actives (%) measurements. The formulation of microemulsion using synthesized surfactant from plat format petroleum fraction showed a Winsor III type system. The effect of salinity demonstrates the existence of an optimal value of NaCl concentration for which the interfacial tension takes the lowered value (10^?4 mN/m). Viscosity measurements confirm that the formulated microemulsion has a Newtonian behavior.     

Measurement of gamma radiation from rocks used as building material in Tiruchirappalli district,Tamil Nadu,India

Tiruchirappalli district is naturally endowed with rich building material resources which are also used in neighboring districts. Hence, measurements of activity concentrations and absorbed dose rate of primordial radionuclides (²³⁸U, ²³²Th and ⁴⁰K) in the rock samples collected from 14 sedimentary rocks and 9 igneous rocks were carried out employing gamma ray spectrometry. In sedimentary rocks the geometric mean activity concentrations of ²³⁸U, ²³²Th and ⁴⁰K were found to be 7.4, 29.5 and 233.6 Bq kg^?1, respectively. On the other hand in igneous rocks geometric mean activity concentrations of ²³⁸U, ²³²Th and ⁴⁰K were distinctly higher and found to be 13.1, 105.7 and 888.8 Bq kg^?1, respectively. The mean radium equivalent activity (Ra_eq) recorded in both sedimentary (20.8 Bq kg^?1) and igneous rocks (245.4 Bq kg^?1) were well within the limit prescribed for dwellings (370 Bq kg^?1) except Vilathupatti (689.3 Bq kg^?1) and Narthamalai (371.6 Bq kg^?1). The mean absorbed dose rate from igneous rock (115 nGy h^?1) exceeded the prescribed limit of 55 nGy h^?1. The mean indoor annual effective dose from the sedimentary rock (0.056 mSv y^?1) and igneous rock (0.580 mSv y^?1) did not exceed the prescribed limit (1 mSv y^?1) except the igneous rock from Vilathupatti (1.51 mSv y^?1). The study concludes that sedimentary and igneous rocks analyzed were radiologically safe when used as building materials except igneous rock from Vilathupatti and Narthamalai.