Materials Literature
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An effective computational scheme to calculate the complete set of independent elastic constants as well as other structural parameters including bulk modulus, shear modulus, Young's modulus, and Poisson's ratio for crystals is reported. The scheme is based on the stress–strain analysis approach with the appropriate s…
A hierarchically-structured ZnO film consisting of secondary colloidal spheres of ~ 300 nm in diameter and primary nanoparticles of ~ 20 nm in diameter is shown to have an ~ 83% improvement in the overall light conversion efficiency, when compared to commercially-obtained ZnO film with ~ 25 nm particles. This increase…
Optical properties of Sn-doped In(2)O(3) (ITO) have been studied in the optical range of 0.4-12 microm. A deposition has been made on BK7 glass, magnesium fluoride, sapphire, and zinc sulfide substrates. The layers have been characterized by their optical properties, DC electrical sheet resistivity, and Hall mobility.…
With the aim of combining the electron and hole-transporting moieties into one molecule and to continue our investigation into the structure–property correlations of dendrimers, two novel star-burst dendrimers 1 and 2 constructed with carbazoles as the peripheral hole-transporting moieties and one triazine moiety as a…
Abstract A trinuclear Mn II complex was obtained by reaction of manganese(II) perchlorate with the ligand 2‐methoxy‐6‐(pyridine‐2‐ylhydrazonomethyl)phenol in methanol. The X‐ray crystal structure of [Mn 3 L 4 ](ClO 4 ) 2 (H 2 O) 2 ( 1 ) reveals that the “bent” chain of the Mn II ions is assembled by a unique click‐ass…
A simple and well-ordered fabrication procedure for polymeric thin films with nanopores and nanogrooves is described. By utilizing the neutral surface of self-assembled monolayers (SAMs) of commercially available 3-( p -methoxyphenyl)propyltrichlorosilane (MPTS), the cylindrical microdomains of PMMA of the asymmetric…
The effects of the dielectric constant of the glass substrates on liquid crystal lens performances are studied. Lens properties and the optimum geometrical structure almost does not change with the dielectric constant. The driving voltages become low when glass substrates of high dielectric constant are used.
The effect of replacing Mn for Fe in the ferrimagnetic perovskite CaCu 3 Mn 4 O 12 has been studied in the series of nominal composition CaCu 3 (Mn 4− x Fe x )O 12 ( x = 0, 0.5, 1.0). These materials have been prepared in polycrystalline form under moderate pressure conditions of 2 GPa, in the presence of KClO 4 as ox…
The title compound contains layers built up from isolated BO3 triangles and MgO6 octahedra, interleaved with SrO9 polyhedra to form a three-dimensional framework. The Sr atom is nine-coordinate in a distorted tricapped trigonal prismatic geometry. Sr, B and one O atom have m point symmetry and Mg 2/m point symmetry.
Abstract The finite difference model is coupled with a cellular automaton (CA) model to simulate dendrite growth in TIG (tungsten inert‐gas) weld molten pool of nickel‐based alloys. Based on the macro finite difference computation of the thermal field of the whole weldment, the micro CA model is used to simulate grain…
Abstract A new solvated polyoxometallate bearing an amino acid, ( I ), has been prepared for the first time by the reaction of 0.16 mmol α‐H 4 SiW 12 O 40 .15H 2 O with 0.78 mmol of L‐proline in hydrochloric acid at pH 3. The structure of ( I ) was substantially characterized by some physical approaches, such as eleme…
Abstract New polyurethanes containing Y‐shaped chromophores, symmetrical derivatives of 4‐(dicyanomethylene)‐2‐methyl‐6‐[ p ‐(dimethylamino)styryl]‐4H‐pyran, have been prepared. The polymers show high glass transition temperatures ( T g ) and a good thermal stability. SHG measurements on poled polymer films of the syn…
Copper-doped ZnO (ZnO:Cu) films were prepared by the filtered cathodic vacuum arc technique at room temperature on Si substrates. The as-grown ZnO:Cu exhibited a saturated magnetic moment ( M s ) of 0.36 μ B /Cu at room temperature. After an annealing treatment at 500 °C for 1 h under N 2 O ambient, the M s of the ZnO…
A fluid of rod–coil diblock copolymers, modelled as wormlike chains, is treated by using self-consistent field theory. The 'rod' and 'coil' sections of each molecule are distinguished by their degrees of flexibility (or persistence lengths), but are otherwise identical. Interactions between molecules are taken to be o…
The dianionic NiN2S2 complex, Ni(ema)2-, ema=N,N'-ethylenebis-2-mercaptoacetamide, known as a reasonable model of the tripeptide complex Ni(CGC)2- (C=cysteine; G=glycine) with respect to the two carboxyamido nitrogens and cis-dithiolates in a (N2S2)4- ligand scaffold as found in acetyl CoA synthase, has been explored…
We have prepared different compositions in the Gd 2− y La y Zr 2 O 7 solid solution by mechanically milling stoichiometric mixtures of the corresponding oxides. Irrespective of their lanthanum content, as-prepared powder samples consist of single-phase anion-deficient fluorite materials, although the long-range orderi…
Abstract Novel biodegradable network films with elastic properties were prepared from trimesic acid (Y) and poly(ethylene glycol)s (PEGs) with different molecular weights (MW) and/or 4,7,10‐trioxa‐1,13‐tridecanediamine (I). Prepolymers prepared by a melt polycondensation were cast from N , N ′‐dimethylformamide soluti…
Stereochemical study of five 2-substituted N-vinylpyrroles obtained via the Trofimov reaction was carried out based on the experimental measurements of their 13C–1H and 13C–13C spin–spin coupling constants substantiated by the high-level ab initio calculations of the parent 2-methyl-N-vinylpyrrole. The title compounds…
Abstract A new family of 1D cooperative spin‐crossover polymers with general formula [{Fe(tba) 3 }X 2 ] · n H 2 O [tba = N ‐(4 H ‐1,2,4‐triazol‐4‐yl)benzamide; X = CF 3 SO 3 – , n = 2 ( 1 ), n = 0 ( 4 ); BF 4 – , n = 3 ( 2 ), n = 0 ( 5 ); 4‐CH 3 C 6 H 4 SO 3 – , n = 3 ( 3 ), n = 0 ( 6 )] has been synthesised and chara…
Atomistic molecular dynamics simulation and a simple continuum viscous flow model are employed to investigate the sintering of straight-chain nanoparticle aggregates. The results are used to develop a phenomenological sintering scaling law. The chain aggregates investigated consist of up to 80 primary particles of sil…