DFT Investigation of the Potential of B<Subscript>21</Subscript>N<Subscript>21</Subscript> and Al<Subscript>21</Subscript>P<Subscript>21</Subscript> Nanocages as Anode Electrodes in Metal Ion Batteries

In present paper, the potential of B₂₁N₂₁ and Al₂₁P₂₁ nanocages as anode electrodes of Li-ion, Na-ion and K-ion batteries by using of density functional theory was investigated. The effects of adoption of B₂₁N₂₁ and Al₂₁P₂₁ nanocages with halogen atoms on potential of metal-ion batteries were examined. Results showed that Al₂₁P₂₁ as anode electrode in metal ion batteries has higher potential than B₂₁N₂₁. Results indicated that K-ion battery has higher cell voltage than Li-ion and Na-ion batteries. Results showed that adoption of B₂₁N₂₁ and Al₂₁P₂₁ with halogen atoms increased the cell voltage of metal-ion batteries. Results showed that F-doped metal-ion batteries have higher cell voltage than Cl- and Br-doped metal-ion batteries. It can be concluded that F–Al₂₀P₂₁ as anode electrode in metal-ion battery has higher potential than F–B₂₀N₂₁.     

Phenyl isothiocyanate in heterocyclic synthesis: Novel synthesis of thiazoles,thieno[2,3-b]pyridine,thiophene and thieno[3,2-c]pyridazine derivatives

Summary The enamino nitriles1 and2 react with phenyl isothiocyanate followed by cyclization with -haloketones3 and10 to afford in each case the thiazole5, thiophene11 and the thieno[2,3-b]pyridine derivatives19 and21. Chemical and spectroscopic evidences for the structures of the new compounds are described.

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Phenylisothiocyanate in der Heterocyclensynthese: Neue Synthesen für Thiazol-, Thieno [2,3-b]pyridin-, Thiophen- und Thieno[3,2-c]pyridazin-Derivate

Zusammenfassung Die Enamin-nitrile1 und2 ergaben nach Reaktion mit Phenylisothiocyanaten und nachfolgender Cyclisierung mit -Halogenketonen3 und10 die entsprechenden Thiazole5, die Thiophene11 und die Thieno[2,3-b]pyridine19 und21. Chemische und spektroskopische Untersuchungen wurden als Strukturbeweise für die neuen Verbindungen herangezogen.

     

Size and morphology controlling of PLGA microparticles produced by electro hydrodynamic atomization

Among the various methods used to produce microparticles, electrospraying is becoming increasingly popular, and it has the advantage of control over the size, shape and morphology of the produced particles. Particle size and morphology are the main factors used to control the rate of microsphere degradation and drug diffusion. The aim of this study was to use some process and solution parameters of the electrospraying such as flow rate, collecting distance, nozzle diameter and polymer molecular weight to control size, shape and morphology of the produced particles. Tests demonstrated that the size of microparticle can be fine‐tuned by adjusting the variables of flow rate, collecting distance and nozzle diameter. Other relevant factors that can be as tuning parameters were those of solvent vapor pressure and application of a polymer mix with different molecular weights. Results showed that microparticle size increased under an increased flow rate and needle gauge setting and a decreased electrical field. Results of the tests showed that morphology of the produced microsphere could be adjusted by the aforementioned parameters. For example, by lowering solvent vapor pressure by adding solvent with a high boiling point, the morphology was changed from a textured surface to a smooth one. Molecular weight of the polymer had a significant effect on morphology, whereas polymer with a low molecular weight caused defect in the produced microparticle, and a high molecular weight produced cup‐like morphology, but a polymer mix that constituted polymers of high and low Molecular weights improved morphology of the produced particles. Copyright © 2015 John Wiley & Sons, Ltd.     

One‐pot and green synthesis 1H-pyrazolo[1,2-b]phthalazine-5,10-dione and dihydropyrano[3,2-c]chromene derivatives by Fe3O4@SiO2-imine/phenoxy-Cu(II) as an efficient and reusable catalyst

In the current study, magnetite-silica core–shell nanoparticles modified with Cu-salen complex (Fe₃O₄@SiO₂-imine/phenoxy-Cu(II)) was utilized as a heterogeneous catalyst for the one-pot multicomponent synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-dione and dihydropyrano[3,2-c]chromene derivatives under solvent-free conditions, without using any harmful organic reagents/solvent. The current synthetic protocol demonstrates that the reactions proceeds to completing step, leading to the successful synthesis of high purity compounds. Advantages of this method include easy purification, reusability of the catalyst, green and mild procedure and synthesis of new derivatives in high yields within short reaction time.

     

Effect of Al and Zr co-doping on electrochemical performance of cathode Li[Li0.2Ni0.13Co0.13Mn0.54]O2 for Li-ion battery

Journal of Solid State Electrochemistry - The Li[Li0.2Ni0.13-x + y/3Co0.13-x + y/3Mn0.54-x + y/3]Al x Zr y O2 was synthesized via conventional solution...     

Cu(II) Schiff base complex supported on Fe3O4 nanoparticles as an efficient nanocatalyst for the selective aerobic oxidation of alcohols

Herein, we have prepared a new Cu(II) Schiff base complex supported onto the surface of modified Fe₃O₄ nanoparticles as highly stable, heterogeneous and magnetically recyclable nanocatalyst for the selective aerobic oxidation of different alcohols. The structure, morphology, chemical composition and magnetic property of the nanocatalyst and its precursors were characterized using FT‐IR, TGA, AAS, ICP‐AES, XRD, SEM, EDS, VSM and N₂ adsorption–desorption analyses. Characterization results exhibited the uniform spherical morphology for nanocatalyst and its precursors. A promising eco‐friendly method with short reaction time and high conversion and selectivity for oxidation of various primary and secondary alcohols under O₂ atmosphere condition was achieved. The synthesized nanocatalyst could be recovered easily by applying an external magnetic field and reused for least eight subsequent reaction cycles with only negligible deterioration in catalytic performance.     

A novel developed method to study the energy/exergy flows of buildings compared to the traditional method

Journal of Thermal Analysis and Calorimetry - The present article focuses on finding a more accurate method to draw the energy and exergy flows that have drawn previously by many researchers. These...     

Energy,exergy and economic investigation of passive and active inclined solar still: experimental study

Journal of Thermal Analysis and Calorimetry - High pressure die casting is one of the leading casting processes in the modern industry. In the case of high pressure die casting, the melt is in...     

Microfluidic Synthesis of Semiconductor Materials: Toward Accelerated Materials Development in Flow

Controlled synthesis of semiconductor nano/microparticles has attracted substantial attention for use in numerous applications from photovoltaics to photocatalysis and bioimaging due to the breadth of available physicochemical and optoelectronic properties. Microfluidic material synthesis strategies have recently been demonstrated as an effective technique for rapid development, controlled synthesis, and continuous manufacturing of solution-processed semiconductor nano/microparticles, due to enhanced parametric control enabling precise tuning of material properties, size, and morphologies. In this review, the basics of microfluidic material synthesis approaches complemented with recent advances in the flow fabrication of metal oxide, chalcogenide, and perovskite semiconductor particles are discussed. Furthermore, advancements in artificial intelligence (AI)-driven materials–space exploration and accelerated formulation optimization using modular microfluidic reactors are outlined. Finally, future directions for the fabrication of semiconducting materials in flow and the implementation of AI with automated microfluidic reactors for accelerated material discovery and development are presented.