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The revenge of the Patterson methods. I. Proteinab initiophasing

M. C. Burla、Rocco Caliandro、Benedetta Carrozzini 等 8 位作者2006-07-15Journal of Applied Crystallography

Direct methods combined with direct-space refinement procedures are the standard tools for ab initio crystal structure solution of macromolecules via diffraction data collected up to atomic or quasi-atomic resolution. An entirely direct-space approach is described here: it includes an automated Patterson deconvolution…

Protein Structure and DynamicsCrystallography and molecular interactionsEnzyme Structure and Function

Lowering of stimulated emission threshold of zinc oxide by doping with thermally diffused aluminum supplied from sapphire substrate

Yuguang Wang、Naoki Ohashi、Yoshiki Wada 等 6 位作者2006-07-15Journal of Applied Physics

Undoped zinc oxide (ZnO) thin films were grown on sapphire and zirconia [yttria-stabilized zirconia (YSZ)] substrate to investigate the effect of the annealing on luminescence properties. For the films grown on sapphire substrate, the electron concentration increased to 1.6×1019cm−3 as a result of in-diffusion of alum…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Features of Cyclic Extrusion Compression: Method, Structure & Materials Properties

M. Richert2006-07-15Diffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomena

The Cyclic Extrusion Compression (CEC) is one of the methods of severe plastic deformation (SPD), used for producing nanomaterials. The CEC method allows materials to be deformed to arbitrarily large strains without changing the initial shape of sample. Large hydrostatic compressive stresses are exerted during deforma…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsAdvanced materials and composites

Supramolecular Co(II)-[2 × 2] Grids: Metamagnetic Behavior in a Single Molecule

O. Waldmann、Mario Ruben、Ulrich Ziener 等 5 位作者2006-07-15Inorganic Chemistry

The magnetic anisotropy of the supramolecular [2 x 2] grid [Co(II)4L4]8+, with a bis(bipyridyl)-pyrimidine-based ligand L, was investigated by single-crystal magnetization measurements at low temperatures. The magnetization curves exhibit metamagnetic-like behavior and are explained by the weak-exchange limit of a min…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Role of Kinetics in the Selective Surface Oxidations of Transition Metal Carbides

Ye Zhang、Francesc Viñes、Yi‐Jun Xu 等 6 位作者2006-07-15The Journal of Physical Chemistry B

The different oxidation behavior of TiC and VC(100) surfaces by molecular oxygen has been investigated by density functional theory with a slab model. From the thermodynamic stability of the final states that involve dissociated O(2), one cannot well explain the experimental observations. Two different oxidation pathw…

Catalytic Processes in Materials ScienceMetal and Thin Film MechanicsAdvanced materials and composites

Surface modifications of Cu(In,Ga)S2 thin film solar cell absorbers by KCN and H2O2∕H2SO4 treatments

L. Weinhardt、O. Fuchs、D. H. E. Gross 等 8 位作者2006-07-15Journal of Applied Physics

KCN etching of the CuxS surface layer formed during the production process of Cu(In,Ga)S2 thin film solar cell absorbers as well as subsequent H2O2∕H2SO4 etching of the Cu(In,Ga)S2 surface have been investigated using x-ray photoelectron spectroscopy, x-ray excited Auger electron spectroscopy, and x-ray emission spect…

ZnO doping and propertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

High-Yield Sol−Gel Synthesis of Well-Dispersed, Colorless ZrO2 Nanocrystals

M. Mizuno、Yuichi Sasaki、Sungkil Lee 等 4 位作者2006-07-15Langmuir

A 93% high-yield synthesis of well-dispersed, colorless zirconium dioxide (ZrO(2)) nanocrystals is reported. In this synthesis, hydrolysis and condensation reactions of zirconium(IV) tert-butoxide in the presence of oleic acid (100 degrees C) formed ZrO(2) precursors. The ZrO(2) precursors were made of -Zr-O-Zr- netwo…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials SciencePigment Synthesis and Properties

Phase transitions and magnetic entropy change in Mn-rich Ni2MnGa alloys

F. Albertini、A. Paoluzi、L. Pareti 等 8 位作者2006-07-15Journal of Applied Physics

Thermomagnetic and magnetocaloric (MC) properties of Ni2MnGa Heusler alloys are found to be very sensitive to small composition variations. It is shown that the temperature behavior of ac susceptibility mimics that of MC properties of the samples. The coincidence of magnetic and structural transformations is found for…

Magnetic and transport properties of perovskites and related materialsShape Memory Alloy TransformationsHeusler alloys: electronic and magnetic properties

Large second-order optical nonlinearity in 30BaO–15TiO2–55GeO2 surface crystallized glass with strong orientation

Hirokazu Masai、Takumi Fujiwara、Yasuhiko Benino 等 4 位作者2006-07-15Journal of Applied Physics

The correlation between the orientation degree of surface crystalline phase and the second-order optical susceptibility, d coefficient for second-harmonic generation, in 30BaO–15TiO2–55GeO2 (BTG55) crystallized glass was investigated using x-ray diffraction measurements and a Maker fringe technique. The d coefficient…

Glass properties and applicationsCrystal Structures and PropertiesPhotorefractive and Nonlinear Optics

Tailoring the Global Properties of Nanocomposites. Epoxy Resins with Very Low Coefficients of Thermal Expansion

Santy Sulaiman、Chad Brick、Christopher M. De Sana 等 6 位作者2006-07-15Macromolecules

ADVERTISEMENT RETURN TO ISSUECommunication to the...Communication to the EditorNEXTTailoring the Global Properties of Nanocomposites. Epoxy Resins with Very Low Coefficients of Thermal ExpansionSanty Sulaiman, Chad M. Brick, Christopher M. De Sana, Joshua M. Katzenstein, Richard M. Laine, and Rafil A. BasheerView Auth…

Polymer Nanocomposites and PropertiesFiber-reinforced polymer compositesSilicone and Siloxane Chemistry

Features of Twist Extrusion: Method, Structures & Material Properties

Yan Beygelzimer、Dmytro Orlov、Alexander Korshunov 等 10 位作者2006-07-15Diffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomena

During the last decade it has been shown that severe plastic deformation (SPD) is a very effective for obtaining ultra-fine grained (UFG) and nanostructured materials. The basic SPD methods are High Pressure Torsion (HPT) and Equal Channel Angular Extrusion (ECAE). Recently several new methods have been developed: 3D…

Microstructure and mechanical propertiesMetal Forming Simulation TechniquesAluminum Alloys Composites Properties

Ultrathin Wagon-Wheel-like TiOx Phases on Pt(111): A Combined Low-Energy Electron Diffraction and Scanning Tunneling Microscopy Investigation

Francesco Sedona、Stefano Agnoli、Gaetano Granozzi2006-07-15The Journal of Physical Chemistry B

Ultrathin ordered titanium oxide films on a Pt(111) surface have been prepared by reactive deposition and characterized by low-energy electron diffraction and scanning tunneling microscopy (STM). According to the postdeposition annealing condition, three different phases have been prepared which show a wagon-wheel-lik…

Semiconductor materials and devicesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Composition and orientation dependence of dielectric and piezoelectric properties in poled Pb(Mg1∕3Nb2∕3)O3–PbTiO3 crystals

Zuyong Feng、Xiangyong Zhao、Haosu Luo2006-07-15Journal of Applied Physics

Temperature and orientation dependence of dielectric constant and discharging current was investigated in the poled single crystals of (1−x)Pb(Mg1∕3Nb2∕3)O3–xPbTiO3 with x varying from 0.24 to 0.38, furthermore, composition and orientation dependence of the room temperature piezoelectric constant d33 was also summariz…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Segmented block copolymers based on poly(propylene oxide) and monodisperse polyamide‐6,T segments

Martijn van der Schuur、R.J. Gaymans2006-07-15Journal of Polymer Science Part A Polymer Chemistry

Abstract Polyether(ester amide)s with poly(propylene oxide) (PPO) and monodisperse poly(hexamethylene terephthalamide) segments were synthesized, and their structure–property relations were investigated. The length of the amide segments was varied from diamide to tetraamide to hexaamide segments, and therefore the num…

Fuel Cells and Related Materialsbiodegradable polymer synthesis and propertiesSynthesis and properties of polymers

Electrical Resistivity Measurements: A Sensitive Tool for Studying Aluminium Alloys

Babak Raeisinia、Warren J. Poole2006-07-15Materials science forum

This paper examines the challenges which are encountered when using electrical resistivity measurements for characterization of microstructures in aluminum alloys. Experimental examples are provided of electrical resistivity studies conducted on two aluminum alloys, a heattreatable alloy (AA6111) and a non-heat-treata…

Copper Interconnects and ReliabilitySemiconductor materials and interfacesSurface and Thin Film Phenomena

Field emission current saturation of aligned carbon nanotube—Effect of density and aspect ratio

Snehangshu Patra、G. Mohan Rao2006-07-15Journal of Applied Physics

The investigation of field emission (FE) properties of carbon nanotube film reveals a strong dependency on the density and its aspect ratio. Nonlinearity in the Fowler-Nordheim (F–N) plot has been explained in terms of change in work function of carbon due to heating during FE. A characteristic knee in the F-N plot, s…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Visible and near-infrared photoluminescences of europium-doped titania film

Changwen Jia、Erqing Xie、Jianguo Zhao 等 5 位作者2006-07-15Journal of Applied Physics

Eu 3 + -doped TiO2 films were prepared on silicon substrates by sol-gel method. Anatase and rutile phases appear when the samples were heat treated in oxygen atmosphere at 500 and 900°C, respectively. Photoluminescence (PL) properties were investigated under the excitation of 325nm He–Cd laser. Visible PL peaking at 5…

Luminescence Properties of Advanced MaterialsPerovskite Materials and ApplicationsQuantum Dots Synthesis And Properties

Hydrogen absorption kinetics and optical properties of Pd-doped Mg thin films

Mathieu Pasturel、M. Slaman、Herman Schreuders 等 7 位作者2006-07-15Journal of Applied Physics

In order to develop optical fiber hydrogen sensors, thin film materials with a high optical contrast between the metallic and hydrided states are needed. Magnesium exhibits such a contrast but cannot be easily hydrogenated at room temperature. However, thin films of Pd-doped Mg (MgPdy with 0.023⩽y⩽0.125) prepared by m…

Hydrogen Storage and MaterialsQuantum, superfluid, helium dynamicsSuperconductivity in MgB2 and Alloys

Thermoelectric properties of CuSbSe2 and its doped compounds by Ti and Pb at low temperatures from 5to310K

D. Li、Xiaoying Qin2006-07-15Journal of Applied Physics

Transport and thermoelectric properties of CuSbSe2 and CuM0.02Sb0.98Se2 (M=Ti,Pb) have been investigated at the temperatures from 5to310K. The results indicated a good linear relationship between logarithm of dc resistivity and reciprocal of temperature existed for CuSbSe2 at the temperatures above ∼73K and below ∼62K…

Advanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsAdvanced Thermodynamics and Statistical Mechanics

Raman characteristics and nonlinear optical properties of tellurite and phosphotellurite glasses containing heavy metal oxides with ultrabroad Raman bands

Ganapathy Senthil Murugan、Takenobu Suzuki、Yasutake Ohishi2006-07-15Journal of Applied Physics

A family of glasses suitable for ultrabroadband Raman amplifications was designed and fabricated. In addition to the bandwidth the gain characteristics of these glasses are expected to be much higher than those of the silica based materials. The thermal stabilities of these glasses in view of fiber fabrication were di…

Glass properties and applicationsCrystal Structures and PropertiesPhase-change materials and chalcogenides