Materials Literature
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Red transparant platelet-shaped single crystals of tetra-barium gallium trinitride oxide, Ba4GaN3O, were synthesized by the Na flux method. The crystal structure is isotypic with Sr4GaN3O, containing isolated triangular [GaN3](6-) anionic groups. O(2-) atoms are inserted between the slabs of [Ba4GaN3](2+), in which th…
Bupropion hydrohalide salts yield ten different crystal phases of bupropion (four hydrochloride, two hydrobromide, and four hydroiodide salts). Of these forms, only four have been previously characterized by single crystal or powder diffraction analysis. The structures of the six new crystal forms have been solved usi…
A novel composite hydrogel based on gelatin, sodium alginate (SA) and hyaluronic acid (HYA) was fabricated by freeze-drying method using 1-ethyl-(3-3-dimethylaminopropyl) carbodiimide (EDC) as a cross-linker. The effects of chemical cross-linking, including cross-linker content and cross-linking time, on the morpholog…
In this study, we introduced N-hydroxymethyl acrylamide and an organic montmorillonite intercalated by an octadecyl trimethyl ammonium bromide surfactant together into the in situ polymerization of polyvinyl acetate to form exfoliated nanocomposites. Wide-angle X-ray diffraction, Fourier transform infrared spectroscop…
A carbon‐based composite was obtained by an optimized method of high‐temperature sublimation of polycrystalline SiC. Scanning electron microscopy of the composite detected flakes with lateral sizes of up to tens of microns and some fine‐dispersed carbon material. From a thorough analysis of G and 2D bands in the Raman…
The molecular structures of pyrimethamine and sulfadoxine have been explored for non linear optical ef fects. The abinitio Hartee Fock calculations and Density Functio nal Theory with B3LYP method have been carried out employing 6311++G** basis set. The dipole moments ( µ), polarizability ( α), and first hyperpolariza…
Grain boundary segregation strongly modifies grain boundary behaviors and affects the physical and mechanical properties of solid polycrystalline materials. In this paper, we study the grain boundary segregation characteristics and the variation law of grain boundary segregation with temperature, crystal misorientatio…
The title compound, [Sr7(C7H3NO4)6(SO4)(H2O)6]n, has been synthesized by an ionothermal method using the ionic liquid 1-ethyl-3-methylimidazolium ([Emim]Br) as solvent, and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR and single-crystal X-ray diffraction. The structure of the compound…
It is a scientific and engineering challenge to characterize materials under nonequilibrium conditions. In recent years, X-ray photon correlation spectroscopy (XPCS), a synchrotron-based coherent X-ray scattering technique, has been found useful in determining the timescales associated with various nonequilibrium proc…
Using a continuum model for inhomogeneous flocks, we show that a finite but arbitrarily large moving "packet" of active particles (e.g., moving creatures) can form in a background of a lower density disordered phase of these particles, like a liquid drop surrounded by vapor. The "vapor density" of the disordered backg…
Copper oxide powders intended for use as oxygen carriers in high temperature air separation and chemical looping combustion have been synthesized by a range of ceramic synthesis techniques including citrate gel, Pechini, precipitation, alanine assisted combustion, and high temperature oxidation. The evolution of morph…
The dielectric properties of CaCu3Ti4O12 (CCTO) ceramic prepared by mechanochemical synthesis (MCS) were investigated. The effect on dielectric properties of ball-to-powder weight ratio and milling time was investigated and compared to the behavior of CCTO prepared by conventional solid state reaction (CSSR). CCTO cer…
The synthesis and crystal structure (at 100 K) of the title compound, Cs[Fe(C11H13N3O2S2)2]·CH3OH, is reported. The asymmetric unit consists of an octahedral [Fe(III)(L)2](-) fragment, where L(2-) is 3-ethoxysalicylaldehyde 4-methylthiosemicarbazonate(2-) {systematic name: [2-(3-ethoxy-2-oxidobenzylidene)hydrazin-1-yl…
The tungsten Lγ transitions between 11 and 12 keV and Kα transitions from 57 to 60 keV were produced by a laboratory electron-bombarded x-ray source and simultaneously recorded with high resolution by using multiple diffraction planes of the same quartz crystal operating in Cauchois transmission geometry. The W Kα tra…
We report on the formation processes and detailed energetics of C 60 included within cyclic hydrocarbon molecules, i.e., [ n ]cyclacene molecules. We found that the inclusion processes for C 60 within [ n ]cyclacene are exothermic without substantial activation barriers. The energy gap between the highest occupied sta…
Using the density functional theory and molecular mechanics methods, we calculated the binding energy and parameters about the primitive cell designed by us with the adamantane and the nitrogen heterocyclic ring, the vibrational frequencies about the small complexes. Grand canonical Monte Carlo simulations were perfor…
The easy hydrolysis of poly(lactic acid) (PLA) leads to very poor mechanical stability. In order to improve water-resistance of PLA, fluorinated polymer has been chosen for its extremely low surface energy. Besides, n-butyl acrylate (BA) has been introduced into fluorinated polymer by copolymerizing BA with dodecafluo…
The magnetic properties of L10-FePt/Fe exchange-coupled composite (ECC) nanodots were investigated by Hall effect measurement due to its high sensitivity. The FePt/Fe nanodots showed coercivity changing irregularly with respect to the Fe thickness, which deviated from the simulated results, where the coercivity of the…
In this paper, we propose an optimized pattern of n-electrode of p-side down vertical InGaN/GaN blue light emitting diode for uniform distribution of current density and better light extraction efficiency. It is found that the electrode pattern not only affects electrical but also optical and thermal characteristics o…
In this paper, finite-aperture diffractive optical element with its critical dimension smaller than illumination wavelength is modeled and optimized using an integrated method. This method employs rigorous analysis model based on Finite Difference Time Domain (FDTD), and simulated annealing (SA) global search algorith…