Materials Literature
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Monodispersed spherical cadmium sulfide particles were used as a model system in order to explain the size selection in the formation of colloids by aggregation of nanosize subunits. Several procedures of mixing the reactants were employed to precipitate these solids and follow the kinetics of particle growth. Efficie…
The ability to predict particle morphology (shape) in the presence of habit-modifying impurities is of great use in allowing the optimization of growth conditions to produce a required crystal habit. Previous morphological modeling techniques developed by the authors 1,2 utilized the attachment energy method, which as…
The development of novel cyclotriphosphazene and oligoethyleneoxy-functionalized poly(7-oxanorbornenes) for possible use as solid polymer electrolytes in the electrolyte layer of rechargeable lithium batteries is described. The length of the oligoethyleneoxy group on the cyclotriphosphazene has been varied, and the ef…
We report the results of density functional theory (DFT) calculations of the 57 Fe Mössbauer quadrupole splittings Δ E Q and isomer shifts δ Fe of both the high-spin (HS) and low-spin (LS) states of two typical spin crossover complexes: the six-coordinate species cis -bis(thiocyanato)bis(1,10-phenanthroline)iron(II),…
A macroporous perovskite manganite, La0.7Ca0.3MnO3, exhibits a three-dimensionally ordered ferromagnetic network that is replicated from a colloidal polymer template. The spherical voids are interconnected via small channels.
Microcrystals of an organic fluorescent dye, 4-n-octylamino-7-nitrobenz-2-oxa-1,3-diazole (NBD-C8), were prepared by reprecipitation in water. The crystallization kinetics was monitored by UV/vis absorption spectroscopy, and a model was proposed. The size and shape of the microcrystals were analyzed by laser light sca…
Silver nanoparticles have been synthesized using AgNO 3 as the metallic source and onion-type multilamellar vesicles (MLV) as the microreactor, where the Genamin T020 organic component is acting as the reductant. Silver ions were introduced into MLV either by diffusion from the dispersion medium, or directly by mixing…
Density functional theory (DFT) is used to study the static electronic dipole moments, polarizabilities, polarizability anisotropies, and first- and second-order hyperpolarizabilities of azoles. These properties are obtained with a finite field approach implemented in the DFT program ALLCHEM. The calculations were of…
The temperature dependent thermoelectric power (TEP) of boron- and nitrogen-doped multiwalled carbon nanotube mats has been measured showing that such dopants can be used to modify the majority conduction from p-type to n-type. The TEP of boron-doped nanotubes is positive, indicating hole-like carriers. In contrast, t…
Here we report a new type of nanocluster superlattice in which each four-connected cluster ([M4In16S31],6- M = Fe, Co, Zn, and Cd) alternates with a three-connected sulfur anion (S2-) to form a rare and yet theoretically important non-centrosymmetric and non-interpenetrating (3,4)-connected net topologically identical…
The adsorptions of hydrogen both on square-packed single-walled carbon nanotube (SWCNT) arrays and on isolated nanotubes were investigated by a combination of a classical potential and density functional theory (DFT) method. Excess adsorption of hydrogen on the SWCNT with diameters of 1.225, 2.04, and 2.719 nm at 77 K…
The assembly of aqueous gold nanoparticles on the surface of polyurethane (PU) spheres leading to [gold nanoparticle shell]−[polyurethane core] structures is demonstrated. The assembly of gold nanoparticles on the polymer microspheres occurs through interaction of the nitrogens in the polymer with the nanoparticles. S…
Mo-substituted triple perovskite superconducting samples with the stoichiometric composition La(1.5)Nd(0.5)Ca(1)Ba(2)[Cu(1-x)Mo(x)](5)O(z), [LNCBCuMO] with x = 0.00, 0.01, 0.03, 0.05 and 0.10, have been investigated using X-ray diffraction, electrical resistivity, magnetic susceptibility, magnetization and oxygen cont…
As a result of recent advances in molecular cloning, protein expression, and X-ray crystallography, it has now become feasible to examine complicated protein structures at high resolution. For those enzymes with multiple catalytic sites, a common theme is beginning to emerge; the existence of molecular tunnels that co…
Silica mesoporous thin films have been synthesized with a self-assembling process using cetyltrimethylammonium bromide as an organic template and tetraethyl orthosilicate as the silica source. Mesoporous films with Pm 3 n cubic phase have been obtained and the films have been thermally treated in air with a progressiv…
Lattice parameters and the structural phase transition of La(0.68)(Ti(0.95),Al(0.05))O(3) have been investigated in situ in the temperature range 301-689 K by the synchrotron radiation powder diffraction (SR-PD) technique. High-angular-resolution SR-PD is confirmed to be a powerful technique for determining precise la…
Collagen prolyl 4-hydroxylases catalyze the hydroxylation of -X-Pro-Gly- sequences and play an essential role in the synthesis of all collagens. They require Fe(2+), 2-oxoglutarate, molecular oxygen and ascorbate, and all vertebrate collagen prolyl 4-hydroxylases are alpha(2)beta(2) tetramers. The alpha-subunits conta…
Theoretical spectra for the magneto-optical Kerr effect have been obtained for the Heusler-related alloys AuMnSb and AuMnSn, and repeated calculations are performed for the isostructural PtMnSb phase. Using experimental lattice constants, our calculations predict a Kerr rotation exceeding −1° in the 0.5–0.8 eV region…
The epitaxial requirement for the selection of metastable arogonite among the polymorphs of calcium carbonate has been studied. Under calcite‐favorable conditions, the critical epitaxial strain with aragonite‐type inorganic substrates was found to be in the range 5–7 %. The Figure shows aragonite “fuzz” grown on SrCO…
The structural and electronic properties of Eu 3+ -doped Y 2 O 3 films coated on spherical alumina nanoparticles are studied using transmission electron microscope, x-ray diffraction, and laser spectroscopic techniques. It is observed that the coated films crystallize at temperatures higher than 600°C and may be compl…