Controllable growth and characterizations of hybrid spiral-like atomically thin molybdenum disulfide

Monolayer MoS₂ is an emerging two-dimensional semiconductor with wide-ranging potential applications in novel electronic and optoelectronic devices. Here, we reported controlled vapor phase growth of hybrid spiral-like MoS₂ crystals investigated by multiple means of X-Ray photoemission spectroscopy, scanning electron microscopy, atomic force microscopy, kelvin probe force microscopy, Raman and Photoluminescence techniques. Morphological characterizations reveal an intriguing hybrid spiral-like MoS₂ feature whose lower planes are AB Bernal stacking and upper structure is spiral. We ascribe the hybrid spiral-like structure to a screw dislocation drive growth mechanism owing to lower supersaturation and layer-by-layer growth mode. In addition, the electrostatic properties of MoS₂ microflakes with hybrid spiral structures are obvious inhomogeneous and dependent on morphology manifested by kelvin probe force microscopy. Our work deepens the understanding of growth mechanisms of CVD-grown MoS₂, which is also adoptable to other TMDC materials.     

Designing liquid-crystalline dendronised hexa-adducts of [60]fullerene via click chemistry

ABSTRACT

Liquid-crystalline [60]fullerodendrimers were constructed via click chemistry based on the reaction between hexa-adducts of [60]fullerene (C₆₀) bearing 12 azide groups and alkyne-terminated cyanobiphenyl dendrons of first- and second-generation. The structure of all the new compounds was confirmed by IR, UV, ¹H and ¹³C NMR spectroscopies and mass spectrometry. The mesomorphic properties were studied by polarised optical microscopy, differential scanning calorimetry and small-angle X-ray scattering. The hexa-adduct of C₆₀ functionalised with the first-generation dendrons gave rise to the formation of a smectic A phase and a rectangular columnar phase (c2mm symmetry) while the hexa-adduct of C₆₀ decorated with the second-generation dendrons displayed only a rectangular columnar phase (c2mm symmetry). Our results show that the hexa-adduct of C₆₀ is a unique synthetic platform for the design of fullerodendrimers and dendronised materials.     

硅橡胶包覆十八烷/聚(St-MMA)储能微胶囊复合材料制备及热性能

以十八烷/聚(苯乙烯-甲基丙烯酸甲酯)(P(St-MMA))微胶囊为相变材料,硅橡胶作为载体,制备了十八烷/P(St-MMA)/硅橡胶复合材料。研究了微胶囊的加入方式及加入量,硅橡胶包覆方法。通过红外光谱(IR)和扫描电镜(SEM)研究复合材料的结构和形貌。通过力学性能测试如拉伸强度、扯断伸长率,确定最佳的加工方法。通过热重分析法(TG)、差示扫描量热法(DSC)和储热性能对复合材料的热性能进行研究。结果表明,十八烷制成微胶囊加入到硅橡胶中,且微胶囊加入量是2份时,十八烷/P(St-MMA)微胶囊/硅橡胶的热稳定性热稳定性及力学性能较好。室温硅橡胶包覆微胶囊掺混固化法制备的复合材料的力学性能优于直接共混后热固化法和混炼涂抹后热固化法。十八烷/P(MMA-St)/硅橡胶复合材料的焓值为67.6J/g,储能效果好。     

Ion Product of Pure Water Characterized by Physics-Based Water Model

Pure water has been characterized for nearly a century, by its dissociation into hydronium (H₃O)¹⁺ and hydroxide (HO)^1- ions. As a chemical equilibrium reaction, the equilibrium constant, known as the ion product or the product of the equilibrium concentration of the two ion species, has been extensively measured by chemists over the liquid water temper-ature and pressure range. The experimental data have been nonlinear least-squares fitted to chemical thermodynamic-based equilibrium equations, which have been accepted as the industrial standard for 35 years. In this study, a new and statistical-physics-based water ion product equation is presented, in which, the ions are the positively charged protons and the negatively charged proton-holes or prohols. Nonlinear least squares fits of our equation to the experimental data in the 0-100 ℃ pure liquid water range, give a factor of two better precision than the 35-year industrial standard.     

Molecular structure,molecular docking,thermal, spectroscopic and biological activity studies of bis‐Schiff base ligand and its metal complexes

Coordination compounds of Fe(III), Zn(II), Ni(II), Co(II), Cu(II), Cd(II) and Mn(II) ions were synthesized from the ligand [4,4′‐((((ethane‐1,2‐diylbis(oxy))bis(2,1‐phenylene))bis(methanylylidene))bis(azanylylidene))diphenol]ethane (H₂L) derived from the condensation of bisaldehyde and 4‐aminophenol. Microanalysis, magnetic susceptibility, infrared, ¹H NMR and mass spectroscopies, molar conductance, X ray powder diffraction and thermal analysis were used to confirm the structure of the synthesized chelates. According to the data obtained, the composition of the 1:1 metal ion–bis‐Schiff base ligand was found to be [M(H₂L)(H₂O)₂]Cl_n (M = Zn(II), Ni(II), Co(II), Cu(II), Cd(II) and Mn(II), n = 2; Fe(III), n = 3). Magnetic susceptibility measurements and reflectance spectra suggested an octahedral geometry for the complexes. Central metals ions and bis‐Schiff base coordinated together via O2 and N2 donor sites which as evident from infrared spectra. The Gaussian09 program was applied to optimize the structural formula for the investigated Schiff base ligand. The energy gaps and other important theoretical parameters were calculated applying the DFT/B3LYP method. Molecular docking using AutoDock tools was utilized to explain the experimental behaviour of the Schiff base ligand towards proteins of Bacillus subtilis (5 h67), Escherichia coli (3 t88), Proteus vulgaris (5i39) and Staphylococcus aureus (3ty7) microorganisms through theoretical calculations. The docked protein receptors were investigated and the energies of hydrogen bonding were calculated. These complexes were then subjected to in vitro antibacterial studies against several organisms, both Gram negative (P. vulgaris and E. coli) and Gram positive (S. pyogones and B. subtilis). The ligand and metal complexes exhibited good microbial activity against the Gram‐positive and Gram‐negative bacteria.     

A hierarchical porous carbon membrane from polyacrylonitrile/polyvinylpyrrolidone blending membranes: Preparation,characterization and electrochemical capacitive performance

Novel hierarchical porous carbon membranes were fabricated through a simple carbonization procedure of well-defined blending polymer membrane precursors containing the source of carbon polyacrylonitrile (PAN) and an additive of polyvinylpyrrolidone (PVP), which was prepared using phase inversion method. The as-fabricated materials were further used as the active electrode materials for supercapacitors. The effects of PVP concentration in the casting solution on structure feature and electrochemical capacitive performance of the as-prepared carbon membranes were also studied in detail. As the electrode material for supercapacitor, a high specific capacitance of 278.0 F/g could be attained at a current of 5 mA/cm² and about 92.90% capacity retention could be maintained after 2000 charge/discharge cycles in 2 mol/L KOH solution with a PVP concentration of 0.3 wt% in the casting solution. The facile hierarchical pore structure preparation method and the good electrochemical capacitive performance make the prepared carbon membrane particularly promising for use in supercapacitor.     

Application of a hybrid meshless technique for natural frequencies analysis in functionally graded thick hollow cylinder subjected to suddenly thermal loading

A hybrid meshless technique based on composition of meshless local Petrov–Galerkin method (for spatial variables) and Newmark finite difference method (for time domain) is developed for natural frequencies analysis of thick cylinder made of functionally graded materials (FGMs). The FG cylinder is assumed to be under suddenly thermal loading, axisymmetric and plane strain conditions. The dynamic behaviors and time history of displacements are obtained in time domain using Green–Naghdi (GN) theory of coupled thermo-elasticity (without energy dissipation). Using fast Fourier transform (FFT) technique, the displacements are transferred to frequency domain and all natural frequencies are illustrated for various grading patterns of FGMs. The variations of mechanical properties in FG thick hollow cylinder are considered to be in nonlinear volume fraction law through radial direction. The presented hybrid meshless technique furnishes a ground to analyze the effects of various grading patterns of FGMs on natural frequencies, which are obtained employing GN coupled thermo-elasticity governing equations. Also, the frequency history and natural frequencies are illustrated for various grading patterns at several points across thickness of cylinder.     

Zn[aminoacid]2 hybrid materials applied as heterogeneous catalysts in the synthesis of β-enaminones

Hybrid materials have seized attention from scientific community mainly as heterogenic catalysts in organic reactions on a large scale succeeding in some organic compounds with high yields. One of the most important classes of hybrid materials used for this purpose involves the complexation of Zn and aminoacids. Herein, we introduced Zn[Pro]₂ and Zn[Gly]₂ in the synthesis of several β-enaminones via solvent free protocol and using an ultrasound device.