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Crystal structure prediction of organic pigments: quinacridone as an example

N. Panina、Frank J. J. Leusen、F.F.B.J. Janssen 等 7 位作者2007-01-12Journal of Applied Crystallography

The structures of the alpha, beta and gamma polymorphs of quinacridone (Pigment Violet 19) were predicted using Polymorph Predictor software in combination with X-ray powder diffraction patterns of limited quality. After generation and energy minimization of the possible structures, their powder patterns were compared…

Cultural Heritage Materials AnalysisX-ray Diffraction in CrystallographyPigment Synthesis and Properties

Poly(3- hydroxybutyrate)/Bioglass®composite films containing carbon nanotubes

Superb K. Misra、Paul Watts、Sabeel P. Valappil 等 6 位作者2007-01-12Nanotechnology

Poly(3hydroxybutyrate) (P(3HB))/Bioglass(®) composites incorporating multiwalled carbon nanotubes (MWCNTs) have been successfully prepared by the solvent casting technique. The microstructure, electrical properties and bioactivity of the composites were characterized using scanning electron microscopy, x-ray diffracti…

Bone Tissue Engineering Materialsbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Mechanical properties of super honeycomb structures based on carbon nanotubes

Min Wang、Xinming Qiu、Xiong Zhang2007-01-12Nanotechnology

As a result of repeating carbon nanotube Y junctions periodically, super honeycomb structures have recently been proposed. In this paper, the mechanical properties of these structures are investigated by using the shell model of the finite element method. The study shows that the super honeycomb structures have great…

Carbon Nanotubes in CompositesCellular and Composite StructuresFiber-reinforced polymer composites

The dc electrical conductivity of semiconducting TeO2–V2O5–MoO3bulk glasses

Dariush Souri、Mohammad Elahi2007-01-12Physica Scripta

The direct current electrical conductivity of ternary 40TeO2–(60−x)V2O5–xMoO3 glasses prepared by press-melt quenching technique was studied at temperatures between 90 and 403 K. From the conductivity–temperature relation, it was found that the small polaron hopping (SPH) model was applicable at the temperature above…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsPhase-change materials and chalcogenides

Mn-doped Ga(As,P) and (Al,Ga)As ferromagnetic semiconductors: Electronic structure calculations

J. Mašek、J. Kudrnovský、F. Máca 等 8 位作者2007-01-12Physical Review B

A remarkable progress towards functional ferromagnetic semiconductor materials for spintronics has been achieved in $p$-type (Ga,Mn)As. Robust hole-mediated ferromagnetism has, however, been observed also in other III-V hosts such as antimonides, GaP, or (Al,Ga)As, which opens a wide area of possibilities for optimizi…

ZnO doping and propertiesMetal and Thin Film MechanicsElectronic and Structural Properties of Oxides

Crystallization Studies and Properties of (Ba 1− x Sr x )TiO 3 in Borosilicate Glass

P. V. Divya、V. Kumar2007-01-12Journal of the American Ceramic Society

Ferroelectric glass–ceramics, with a basic composition (1− y )(Ba 0.70 Sr 0.30 )TiO 3 ‐ y (B 2 O 3 – x SiO 2 ), were synthesized by sol–gel method. The major crystalline phase is the perovskite, which exhibited volume nucleation. The formation of the crystalline phase, particle size, morphology, kinetics, and mechanis…

Ferroelectric and Piezoelectric MaterialsPolymer Nanocomposites and PropertiesGlass properties and applications

Effects of Niobium Doping on the Microstructure and Electrical Properties of 0.36BiScO 3 –0.64PbTiO 3 Ceramics

Si Chen、Xianlin Dong、Hong Yang 等 5 位作者2007-01-12Journal of the American Ceramic Society

Recently, a new family of piezoelectric perovskite materials based on the solid solution (1− x )BiScO 3 – x PbTiO 3 was developed. This system was found to have a Curie temperature higher than 450°C and excellent piezoelectric properties near the MPB composition. Niobium, as a donor dopant in the piezoelectric system…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Two-photon-assisted excited state absorption in nanocomposite films of PbS stabilized in a synthetic glue matrix

Pushpa Ann Kurian、C. Vijayan、C. S. Suchand Sandeep 等 5 位作者2007-01-12Nanotechnology

Strong nonlinear absorption is observed in nanocomposite films containing PbS nanocrystals of mean size of 3.3 nm stabilized in a commercial poly(vinyl acetate) glue by a novel and simple chemical route of synthesis. A significant blueshift of the optical absorption edge indicates strong quantum confinement. The mean…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNonlinear Optical Materials Studies

Microwave-assisted synthesis of anatase TiO2nanorods with mesopores

Xingtao Jia、Wen He、Xudong Zhang 等 6 位作者2007-01-12Nanotechnology

Pure anatase TiO(2) nanorods with mesopores were synthesized by a simple and low cost microwave-assisted method when tri-block copolymer was used as a structure stabilization agent and TiCl(4) as metal precursor. TEM investigation showed that larger nanorods were assembled by pearl-necklace-shaped nanorods following a…

TiO2 Photocatalysis and Solar CellsCatalytic Processes in Materials ScienceMesoporous Materials and Catalysis

Symmetry of the Superconducting Order Parameter in Frustrated Systems Determined by the Spatial Anisotropy of Spin Correlations

B. J. Powell、Ross H. McKenzie2007-01-12Physical Review Letters

We study the resonating valence bond theory of the Hubbard-Heisenberg model on the half-filled anisotropic triangular lattice. Varying the frustration changes the wave vector of maximum spin correlation in the Mott insulating phase. This, in turn, changes the symmetry of the superconducting state that occurs at the bo…

Physics of Superconductivity and MagnetismAdvanced Condensed Matter PhysicsOrganic and Molecular Conductors Research

Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)2]2(bpym)}: toward controlled multi-stepped molecular switches

Elżbieta Trzop、Marylise Buron‐Le Cointe、H. Cailleau 等 9 位作者2007-01-12Journal of Applied Crystallography

The photocrystallographic investigation of the light-induced excited spin-state trapping effect in the dinuclear spin-crossover compound {[Fe(bt)(NCS) 2 ] 2 (bpym)} is reported. In this system, each of the two Fe sites may be either in the high-spin (HS) or in the low-spin (LS) state, so that the molecule corresponds…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryLanthanide and Transition Metal Complexes

Natural cellulose fibers from switchgrass with tensile properties similar to cotton and linen

Narendra Reddy、Yiqi Yang2007-01-12Biotechnology and Bioengineering

We report the production and characteristics of natural cellulose fibers obtained from the leaves and stems of switchgrass. In this paper, the composition, structure and properties of fibers obtained from the leaves and stem of switchgrass have been studied in comparison to the common natural cellulose fibers, such as…

Natural Fiber Reinforced CompositesAdvanced Cellulose Research Studiesbiodegradable polymer synthesis and properties

Local Modifications of Single-Wall Carbon Nanotubes Induced by Bond Formation with Encapsulated Fullerenes

Takashi Yumura、Miklós Kertész、Sumio Iijima2007-01-12The Journal of Physical Chemistry B

Defected fullerenes in nanopeapods form bonds with the encapsulating single-walled carbon nanotubes when irradiated by an electron beam leading to changes in the guest (fullerene) and the host (nanotube). Intrinsic reaction coordinate (IRC) analysis based on B3LYP hybrid density functional theory shows that a C1-C59 d…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Electron irradiation and the formation of vacancy–interstitial pairs in diamond

I. Kiflawi、A T Collins、Konstantin Iakoubovskii 等 4 位作者2007-01-12Journal of Physics Condensed Matter

A large number (>60) of nitrogen-containing type Ia natural diamonds, and nitrogen-free type IIa natural and synthetic diamonds, have been electron irradiated and their optical absorption spectra have been analysed in detail. The analysis reveals that the concentrations of vacancies [V] and interstitials [I0 ] in type…

Metal and Thin Film MechanicsHigh-pressure geophysics and materialsDiamond and Carbon-based Materials Research

Spintronik: eine Herausforderung für Materialwissenschaften und Festkörperchemie

Claudia Felser、Gerhard H. Fecher、Benjamin Balke2007-01-12Angewandte Chemie

Abstract Spintronik ist ein multidisziplinäres Forschungsfeld zwischen Physik, Material‐ und Ingenieurwissenschaften, aber auch ein neuer Forschungsbereich der Festkörperforschung. Für die verschiedensten Anforderungen müssen unterschiedlichste Materialien gefunden werden. Die Suche nach ferromagnetischen Halbleitern…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsHeusler alloys: electronic and magnetic properties

Aligned Inclusion of n‐Propionic Acid Tethering Hemicyanine into Silica Zeolite Film for Second Harmonic Generation

H. S. Kim、K. W. Sohn、Yong‐Joon Jeon 等 6 位作者2007-01-12Advanced Materials

Propionic acid tethering hemicyanine dye molecules preferentially enter the channels of silicalite-1 films with the head part first, in water in the presence of tetrabutylammonium hydroxide (this is shown schematically in the figure), giving rise to high-concentration hemicyanine-incorporating silicalite films with hi…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical Studies

N4H9Cu7S4: A Hydrazinium-Based Salt with a Layered Cu7S4- Framework

David B. Mitzi2007-01-12Inorganic Chemistry

Crystals of a hydrazinium-based copper(I) sulfide salt, N4H9Cu7S4 (1), have been isolated by an ambient temperature solution-based process. In contrast to previously reported hydrazinium salts of main-group metal chalcogenides, which consist of isolated metal chalcogenide anions, and ACu7S4 (A = NH4+, Rb+, Tl+, K+), w…

Crystallography and molecular interactionsCrystal Structures and PropertiesX-ray Diffraction in Crystallography

High‐Temperature Hydrogen Adsorption Properties of Precursor‐Derived Nickel Nanoparticle‐Dispersed Amorphous Silica

Yumi H. Ikuhara、Hiroshi Mori、Tomohiro Saito 等 4 位作者2007-01-12Journal of the American Ceramic Society

Nickel (Ni) nanoparticle‐dispersed amorphous silica (Si–O) powders were synthesized from chemical solution precursors. The high‐temperature hydrogen adsorption property of the precursor‐derived composite powders was investigated in comparison with the amorphous Si–O and Ni at 773 K. Among the three powder samples, Ni…

Catalytic Processes in Materials ScienceHydrogen Storage and MaterialsLayered Double Hydroxides Synthesis and Applications

Batch fabrication of carbon nanotube bearings

Arunkumar Subramanian、Lixin Dong、Joy Tharian 等 5 位作者2007-01-12Nanotechnology

Relative displacements between the atomically smooth, nested shells in multiwalled carbon nanotubes (MWNTs) can be used as a robust nanoscale motion enabling mechanism. Here, we report on a novel method suited for structuring large arrays of MWNTs into such nanobearings in a parallel fashion. By creating MWNT nanostru…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Simulation of small-angle scattering curves by numerical Fourier transformation

Klaus Schmidt‐Rohr2007-01-12Journal of Applied Crystallography

A simple numerical approach for calculating the q -dependence of the scattering intensity in small-angle X-ray or neutron scattering (SAXS/SANS) is discussed. For a user-defined scattering density on a lattice, the scattering intensity I ( q ) ( q is the modulus of the scattering vector) is calculated by three-dimensi…

Soil and Unsaturated FlowRadiation Shielding Materials AnalysisX-ray Diffraction in Crystallography