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Joint structure refinement of x-ray and neutron diffraction data on disordered materials: application to liquid water

Alan K. Soper2007-07-04Journal of Physics Condensed Matter

X-ray diffraction data on liquids and disordered solids often provide useful complementary structural information to neutron diffraction data. Interpretation of the x-ray diffraction pattern, which is produced by scattering from the atomic electrons rather than from the atomic nuclei as in the case of neutron diffract…

High-pressure geophysics and materialsNuclear Physics and ApplicationsX-ray Diffraction in Crystallography

RMCProfile: reverse Monte Carlo for polycrystalline materials

Matthew G. Tucker、David A. Keen、Martin T. Dove 等 5 位作者2007-07-04OpenAlex

A new approach to the reverse Monte Carlo analysis of total scattering data from polycrystalline materials is presented. The essential new feature is the incorporation of an explicit analysis of the Bragg peaks using a profile refinement, taking account of the instrument resolution function. Other new features includi…

High-pressure geophysics and materialsAdvanced Condensed Matter PhysicsX-ray Diffraction in Crystallography

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals

Christopher L. Farrow、Pavol Juhás、Jie Liu 等 8 位作者2007-07-04OpenAlex

PDFfit2 is a program as well as a library for real-space refinement of crystal structures. It is capable of fitting a theoretical three-dimensional (3D) structure to atomic pair distribution function data and is ideal for nanoscale investigations. The fit system accounts for lattice constants, atomic positions and ani…

High-pressure geophysics and materialsCrystal Structures and PropertiesX-ray Diffraction in Crystallography

Synthesis and Characterization of Aurivillius Phases in the Bi–Ag–Ti–O System

Xing Hu、Srečo D. Škapin、Danilo Suvorov2007-07-03Journal of the American Ceramic Society

New Aurivillius phases in the Bi–Ag–Ti–O system were investigated by means of a solid‐state reaction and X‐ray diffraction. We found that the oxygen partial pressure has a significant influence on the synthesis of the Aurivillius phases. The mixed‐layer Aurivillius phase Ag 0.5 Bi 8.5 Ti 7 O 27 was observed after firi…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Kinetic study on cross‐linking and blowing behavior of EVA/EPDM/CPE high elasticity material

Canpei Liu、Jinhuo Lin2007-07-03Journal of Applied Polymer Science

Abstract Blend of ethylene‐vinyl acetate copolymer (EVA), ethylene‐propylene‐diene terpolymer rubber (EPDM), and chlorinated polyethylene (CPE) filled with talc was cross‐linked with dicumyl peroxide and blown simultaneously with azodicarbonamide for preparation of high elasticity material by injecting, cross‐linking,…

Polymer crystallization and propertiesEpoxy Resin Curing ProcessesPolymer Foaming and Composites

Ambient‐Pressure Organic Superconductors κ‐(DMEDO‐TSeF)2[Au(CN)4](solv.): Tc Tuning by Modification of the Solvent of Crystallization

Takashi Shirahata、M. Kibune、Hiroko Yoshino 等 4 位作者2007-07-03Chemistry - A European Journal

The unsymmetrical pi donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF) has provided six new organic superconductors with a monovalent square-planar [Au(CN)(4)](-) ion and cyclic ethers as solvent of crystallization. The six new organic superconductors kappa-(DMEDO-TSeF)(2)[Au(CN)(4)](solv.) [solv.=1,3-dio…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchIron-based superconductors research

Metallocenic Isotactic Poly(propylene) and its Copolymers with 1‐Hexene and Ethylene

Javier Arranz‐Andrés、Inmaculada Suárez、Begoña Peña 等 6 位作者2007-07-03Macromolecular Chemistry and Physics

Abstract A comprehensive study of the structure and properties has been performed for copolymers of propylene‐1‐hexene, CiPH, and propylene‐ethylene, CiPE, synthesized by an isotactic metallocene catalyst system. The comonomer content constitutes the most important factor affecting the structure and properties of thes…

Organometallic Complex Synthesis and CatalysisPolymer crystallization and propertiesbiodegradable polymer synthesis and properties

Molecular Dynamics Simulation of the Formation of Polymer Networks

Wen Yang、Dongshan Wei、Xigao Jin 等 4 位作者2007-07-03Macromolecular Theory and Simulations

Abstract The random end linking of different amounts of trifunctional crosslinkers with 3 000 prepolymer linear chains, with length varying from 10 to 30 monomers, to form networks at different system number densities was dynamically simulated by the molecular dynamics method. Investigation of the crosslinking kinetic…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties

Structurally Characterized Erbium Alkoxides for Use as an Amphoteric Dopant in PErZT Ceramic Thin Film and Nanoparticles

Timothy J. Boyle、L.A.M. Ottley、Luke N. Brewer 等 6 位作者2007-07-03European Journal of Inorganic Chemistry

Abstract A family of erbium alkoxides [Er(OR) 3 ] was prepared from the reaction of Er[N(SiMe 3 ) 2 ] 3 with a series of alcohols (HOR) in selected solvents and crystallographically characterized as: [Er(μ‐Onep) 2 (Onep)] 4 , ( 1 ), [Er 4 (μ 4 ‐O)(μ 3 ‐Onep)(μ‐Onep) 5 (Onep) 4 (py) 3 ] ( 3 ), Er 3 (μ 3 ‐O t Bu) 2 (μ‐O…

Luminescence Properties of Advanced MaterialsMesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and Applications

Molecular structure and shear rheology of long chain branched polypropylene formed by light cross‐linking of a linear precursor with 1,3‐benzenedisulfonyl azide

Jens Kjær Jørgensen、Keith Redford、Espen Ommundsen 等 4 位作者2007-07-03Journal of Applied Polymer Science

Abstract Linear isotactic metallocene based polypropylene ( M w = 125,000 g/mol, M n = 61,000 g/mol) was lightly crosslinked by small amounts of 1,3‐benzenedisulfonyl azide to form long chain branches (LCB). Crosslinking was carried out by reactive extrusion at 200°C in a small scale extruder. At the processing temper…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Selbstorganisation lebender Systeme mit funktionalen Nanomaterialien

Zoran D. Popović、Matthias Otter、Gion Calzaferri 等 4 位作者2007-07-03Angewandte Chemie

Eingefangen: Die Selbstorganisation von Bakterien gelang durch Kombination von Escherichia coli mit dem synthetischen Zeolith L. Der Organisationsprozess lässt sich so steuern, dass die Gebilde Bakterien und poröse Nanobehälter im Verhältnis 1:1 oder 2:1 enthalten (siehe schematische Darstellung).

Supramolecular Chemistry and ComplexesSupramolecular Self-Assembly in MaterialsNanocluster Synthesis and Applications

A Simple Relation for the Concentration Dependence of Osmotic Pressure and Depletion Thickness in Polymer Solutions

G. J. Fleer、A.M. Skvortsov、Remco Tuinier2007-07-03Macromolecular Theory and Simulations

Abstract We propose simple expressions $\Pi /\Pi _0 = 1 + (\varphi /\varphi _{{\rm ex}} )^{3\alpha - 1}$ and $(\delta _0 /\delta )^2 = 1 + (\varphi /\varphi _{{\rm ex}} )^{2\alpha }$ for the osmotic pressure Π and the depletion thickness δ as a function of the polymer concentration φ . Here, Π 0 and δ 0 correspond to…

Material Dynamics and PropertiesTheoretical and Computational PhysicsRheology and Fluid Dynamics Studies

Two Frustrated, Bitetrahedral Single-Molecule Magnets

Constantinos J. Milios、Ian A. Gass、A. Vinslava 等 9 位作者2007-07-03Inorganic Chemistry

Two unusual mixed-valent {MnIII6MnII} bitetrahedra display frustrated magnetic exchange, leading to S = 13/2 +/- 1 and 11/2 +/- 1 ground states and slow magnetization relaxation.

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryLanthanide and Transition Metal Complexes

Expeditious Synthesis of Glycosylated Phthalocyanines

Thomas Ziegler、Xavier Álvarez-Micó、Mário J. F. Calvete 等 4 位作者2007-07-03Synthesis

3,4-Dicyanophenyl O- and S-glycosides in the gluco, galacto, lacto, and cellobiose series were prepared in virtually quantitative yield through nucleophilic aromatic substitution of 4-nitrophthalonitrile with acetyl-protected glycoses and 1-thio-glycoses. Similarly, 2-(3,4-dicyanophenoxy)ethyl 2,3,4,6-tetra-O-acetyl-β…

Carbohydrate Chemistry and SynthesisPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Direct calculation of the optical constants for a thin film using a midpoint envelope

S.M. Humphrey2007-07-03Applied Optics

An algebraic method to calculate the optical constants for a weakly absorbing thin film from the spectrum of normal reflectance is described. The calculation of the refractive index of the thin film is simplified by constructing a midpoint envelope through the reflection spectrum. If a portion of the spectrum includes…

Optical Coatings and GratingsSurface Roughness and Optical Measurements

Continuous Synthesis of Tin and Indium Oxide Nanoparticles in Sub‐ and Supercritical Water

Zhen Fang、Hassane Assaaoudi、R. I. L. Guthrie 等 5 位作者2007-07-03Journal of the American Ceramic Society

Nanocrystalline tin and indium oxides (In 2 O 3 /SnO 2 ) were synthesized in sub‐ and supercritical water at 350°/380°C and 30 MPa in <73 s in a tubular flow reactor from an aqueous solution of {SnCl 4 +InCl 3 } (0.2 M ). The conversion rate for tin was 100%. Nanoparticles were analyzed by transmission electron mic…

TiO2 Photocatalysis and Solar CellsCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Micromechanical deformation processes in PA/layered silicate nanocomposites: Correlation of structure and properties

K. Edward Renner、Sven Henning、János Móczó 等 6 位作者2007-07-03Polymer Engineering and Science

Abstract Polyamide/organophilic montmorillonite nanocomposites were prepared from two silicates with different organophilization resulting in strong and weak matrix/silicate adhesion, respectively; uncoated sodium montmorillonite was used as reference. The silicate content of the composites changed between 0 and 10 vo…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesSilicone and Siloxane Chemistry

Studies on the photo‐oxidation of PP and PP/mLLDPE blend systems: Thermal, physicochemical, and mechanical behavior

Aditya Gupta、U. K. Saroop、Vidya Bhushan Gupta2007-07-03Journal of Applied Polymer Science

Abstract The photo‐oxidative degradation of the blends of polypropylene (PP) with metallocene linear low density polyethylene (mLLDPE) were studied. The blend samples were exposed to the ultraviolet radiation (UV) for a period of 6 weeks. Tensile mechanical characteristics were derived from stress–strain curves. The c…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer Science and PVC

Carbon Powders Prepared by Ultrasonic Spray Pyrolysis of Substituted Alkali Benzoates

Sara E. Skrabalak、Kenneth S. Suslick2007-07-03The Journal of Physical Chemistry C

Ultrasonic spray pyrolysis (USP) has been used to prepare carbon spheres from aqueous solutions of substituted alkali benzoate salts. The size of the carbon spheres produced during USP can easily be controlled simply by changing the concentration of the precursor solution. Both the cation and the ring substituents of…

Mesoporous Materials and CatalysisPorphyrin and Phthalocyanine ChemistryAerogels and thermal insulation

Resonant Raman scattering at exciton intermediate states in ZnO

Markus R. Wagner、P. Zimmer、A. Hoffmann 等 4 位作者2007-07-03physica status solidi (RRL) - Rapid Research Letters

Abstract We present results on resonant Raman scattering in single crystal ZnO using a continuously tuneable excitation in the energy region of the free and bound excitons. The PL and Raman spectra show the presence of a dominant luminescence band at 3.310 eV as well as the A 1 (TO), E 2 (high), E 1 (LO), and 2E 1 (LO…

ZnO doping and propertiesPerovskite Materials and ApplicationsQuantum Dots Synthesis And Properties