Materials Literature
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S-doped ZnO nanowires with an average diameter of 80 nm and length up to several tens of micrometers were produced through a simple physical evaporation approach. The nanowires had a single-crystal hexagonal structure and grew along the [102] direction. Photoluminescence (PL) measurements showed that the doping of sul…
We report conventional ab initio and density functional theory calculations for the static dipole polarizability for the small silicon clusters Si3 to Si7. Our effort relies on the design of flexible basis sets of Gaussian-type functions. The dependence of the calculated mean polarizability per atom (ᾱ/n) on basis set…
Abstract Intercalated polycarbonate (PC)/clay nanocomposites (PCCN)s have been prepared successfully through the melt intercalation method in the presence of a compatibilizer. The internal structure and morphology of the PCCNs has been established by using wide‐angle X‐ray diffraction (WAXD) analyses and transmission…
By neutron scattering, we have studied the spin correlations and spin fluctuations in frustrated Laves hydrides, where magnetic disorder sets in the topologically frustrated Mn lattice. Below the transition towards short range magnetic order, static spin clusters coexist with fluctuating and alsmost uncorrelated spins…
We perform side-by-side comparison of optical gain properties of spherical and elongated nanocrystals (quantum dots and quantum rods, respectively). This comparison indicates that elongated nanoparticles provide several features beneficial for lasing applications, such as enhanced absorption cross sections (and hence…
Judicious application of site-selective reactions to non-aligned and aligned carbon nanotubes has opened a rich field of carbon nanotube chemistry. In order to meet specific requirements demanded by particular applications (e.g. biocompatibility for nanotube biosensors and interfacial strength for blending with polyme…
In ferromagnetic alloys with shape memory large reversible strains can be obtained by rearranging the martensitic domain structure by a magnetic field. Magnetization through displacement of domain walls is possible in the presence of high magnetocrystalline anisotropy, when martensitic structure rearrangement is energ…
A microscopic kinetic description of single-particle transient localization and activated transport in glassy fluids is developed which combines elements of idealized mode-coupling theory, density functional theory, and activated rate theory. Thermal fluctuations are included via a random force which destroys the idea…
Photoluminescence (PL) and photoluminescence excitation (PLE) spectroscopies are used to track the temperature dependence of the A exciton energy (EXA) in undoped bulk ZnO crystals grown by the seeded-chemical-vapor-transport method. For T>150 K, the edge emission becomes broad as the A exciton recombination an…
Zinc oxide (ZnO) films were synthesized by thermal oxidation of metallic zinc films in air. The influence of annealing temperatures ranging from 320 to 1000 °C on the structural and optical properties of ZnO films is investigated systematically using x-ray diffraction and room temperature photoluminescence (PL). The f…
We use ab initio methods to calculate the properties of adatom defects on a graphite surface. By applying a full spin-polarized description to the system we demonstrate that these defects have a magnetic moment of about 0.5micro(B) and also calculate its role in diffusion over the surface. The magnetic nature of these…
Delta9 stearoyl-acyl carrier protein (ACP) desaturase is a mu-oxo-bridged di-iron enzyme, which belongs to the structural class I of large helix bundle proteins and that catalyzes the NADPH and O2-dependent formation of a cis-double bond in stearoyl-ACP. The crystal structures of complexes with azide and acetate, resp…
The solution structure of the final phosphoryl transfer complex in the glucose-specific arm of the Escherichia coli phosphotransferase system, between enzyme IIAGlucose (IIAGlc) and the cytoplasmic B domain (IIBGlc) of the glucose transporter IICBGlc, has been solved by NMR. The interface (approximately 1200-A2 buried…
The microstructural change in CeO2-ZrO2 solid solution (Ce2Zr2O7 + x; 0 < or = x < or = 1) with an ordered arrangement of Ce and Zr associated with the absorption/release of oxygen was observed by transmission electron microscopy (TEM). The oxidation of Ce2Zr2O7 was observed in TEM by electron diffraction analysis. Th…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTTransverse Orientation of Lamellae and Cylinders by Solution Extrusion of a Pentablock CopolymerTamotsu Harada, Frank S. Bates, and Timothy P. LodgeView Author Information Department of Chemical Engineering & Materials Science, Univ…
Energy-filtering transmission electron microscopy (EFTEM) was applied for investigating interfaces between a polymer and an adhesive. The sample employed in this work is polybutylene terephtharate (PBT) sheets laminated with an epoxy adhesive. It was found that heat aging of the PBT at 180 degrees C in air for > 9 h p…
A supramolecular pyridylferrocene (PyFc)−fluorinated zinc porphyrin (ZnTFPP) dyad system was developed, and its photodynamics was investigated in dichloromethane and acetonitrile. The nitrogen of PyFc coordinates to the metal center of zinc porphyrin to form a supramolecular donor−acceptor complex. Formation of the py…
Structural, chemical, and physical properties of whitlockite-type Ca 9 Bi(VO 4 ) 7 were studied by X-ray powder diffraction (XRD), electron diffraction (ED), second-harmonic generation (SHG), thermogravimetry, differential scanning calorimetry, dielectric, and electrical-conductivity measurements. A new phase-transiti…
We present results of molecular dynamics simulations of water droplets at pillar surfaces comprised of sheets of carbon atoms. We examine variations in the contact angle with the height of the pillars. A crossover is observed between the Wenzel and Cassie−Baxter regimes when the height of the pillar is changed.
The clinical application of macromolecular Gd(III) complexes as MRI contrast agents is impeded by their slow excretion and potential toxicity due to the release of Gd(III) ions caused by the metabolism of the agents. A polymer Gd(III) chelate conjugate with a cleavable spacer has been designed to solve this problem. P…