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Molecular mechanics for multiple spin states of transition metal complexes

Robert J. Deeth、D. L. Foulis、Benjamin J. Williams-Hubbard2003-01-01Dalton Transactions

Empirical Ligand Field Molecular Mechanics (LFMM) parameters for CoIII–F and CoIII–CN bonds are developed from Density Functional Theory (DFT) calculations on octahedral [CoF6]3− and [Co(CN)6]3−. In addition to the 5T2g and 1A1g ground states of [CoF6]3− and [Co(CN)6]3− respectively, DFT can also access the low-spin f…

Advanced Chemical Physics StudiesMagnetism in coordination complexesInorganic Fluorides and Related Compounds

Phenylene–2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission

Figen Türksoy、G. Hughes、Andrei S. Batsanov 等 4 位作者2003-01-01Journal of Materials Chemistry

Phenylene–2,5-dimethylpyrazinyl co-oligomers and a dipyridylpyrazine derivative have been synthesised by Suzuki cross-coupling reactions starting from 2,5-dibromo-3,6-dimethylpyrazine. X-Ray crystal structures are reported for two teraryl derivatives, viz. 2,5-bis(2-methoxyphenyl)-3,6-dimethylpyrazine 2 and 2,5-bis(6-…

Organic Light-Emitting Diodes ResearchConducting polymers and applicationsLuminescence and Fluorescent Materials

Energy storage and applications with supercapacitors

P. Barrade2003-01-01Infoscience (Ecole Polytechnique Fédérale de Lausanne)

Dedicated for energy storage, supercapacitors offer new solutions in various applications. This contribution describes briefly main principles of supercapacitors, basics for the design of a supercapacitive tank, and the needed power electronics developments linked to the use of these new components. Typical applicatio…

Supercapacitor Materials and FabricationElectric and Hybrid Vehicle Technologies

FINISH-TURNING OF HARDENED POWDER-METALLURGY STEEL USING CRYOGENIC COOLING

Zbigniew Zurecki、Ranajit Ghosh、John H. Frey2003-01-01International journal of powder metallurgy

A large fraction of automotive components made of hardened powder-metallurgy steels are subject to finish-turning before final assembly. Because of a characteristically poor machinability and high surface finish requirements, the conventional P/M turning operations usually require the use of flood-cooled polycrystalli…

Advanced machining processes and optimizationMetal Alloys Wear and PropertiesPowder Metallurgy Techniques and Materials

Properties of PP/PET bicomponent melt blown microfiber nonwovens after heat‐treatment

Ron Zhao、Larry C. Wadsworth、Christine Sun 等 4 位作者2003-01-01Polymer International

Abstract Polypropylene (PP)/poly(ethylene terephthalate) (PET) bicomponent (bico) fibres are successfully melt blown in the Reicofil® meltblown (MB) pilot line commissioned at the Textiles and Nonwovens Development Center (TANDEC), the University of Tennessee, Knoxville. The bico fibers possess a cross‐sectional side‐…

Textile materials and evaluationsMaterial Properties and Processing

Three-dimensional scattering of dielectric gratings under plane-wave excitation

Á. Coves、B. Gimeno、A. A. San Blas 等 6 位作者2003-01-01IEEE Antennas and Wireless Propagation Letters

The problem of scattering of electromagnetic plane waves by one-dimensional (1D) periodic dielectric gratings, under the most general condition of oblique incidence (3D incidence), is rigorously solved. A recently developed vectorial modal method for obtaining the modal spectrum of 1D dielectric periodic guiding media…

Photonic Crystals and ApplicationsAdvanced Antenna and Metasurface TechnologiesOptical Coatings and Gratings

Crystallization of potassium sulfate by cooling and salting‐out using 1‐propanol in a calorimetric reactor

María E. Taboada、P. A. Palma、Teófilo A. Graber2003-01-01Crystal Research and Technology

Abstract A study was made on a isothermal process for the crystallization of potassium sulfate as an alternative to the cooling process. The process employs addition of 1‐propanol to aqueous salt solutions to achieve the “saltingout” of the K 2 SO 4 . This work was carried out using an automated Mettler Toledo model R…

Crystallization and Solubility StudiesChemical and Physical Properties in Aqueous SolutionsFreezing and Crystallization Processes

Order Parameter, Alignment and Anchoring Transition in Discotic Liquid Crystals

J. K. Vij、A. Kocot、T. S. Perova2003-01-01Molecular Crystals and Liquid Crystals

The results of our investigations show that on an untreated flat substrate, the discotic liquid crystals align side-on (or homeotropically) if the sample is slowly cooled from the isotropic phase. If the sample is kept in the glassy or crystalline state for several hours, the alignment inevitably changes to edge-on (p…

Liquid Crystal Research AdvancementsSemiconductor Lasers and Optical DevicesPlant Reproductive Biology

A Duplex Mechanism-Based Model for the Interaction Between Chromate Ions and the Hydrated Oxide Film on Aluminum Alloys

Devicharan Chidambaram、Clive R. Clayton、Gary P. Halada2003-01-01Journal of The Electrochemical Society

In order to understand more clearly the nature of the anodic film formed on aluminum and its alloys, and the mechanism of inhibition of corrosion by chromates, a novel investigation has been made on the anodic film formed on AA1060 using X-ray photoelectron spectroscopy. The goal has been to elucidate whether the inte…

Corrosion Behavior and InhibitionNon-Destructive Testing TechniquesAnodic Oxide Films and Nanostructures

Hydroxyapatite crystals grown on a cellulose matrix using titanium alkoxide as a coupling agent

M Juárez Gonzalez、E. Hernández、J.A. Ascencio 等 6 位作者2003-01-01Journal of Materials Chemistry

Hydroxyapatite (HAp) crystals were grown on the surface of a cellulose matrix previously modified using titanium isopropoxide (TIPO). This modification provides the appropriate labile chemical groups to grow HAp: the primary hydroxyl of cellulose, the most reactive of the three groups, has not enough reactivity to gro…

Advanced Cellulose Research StudiesNanomaterials for catalytic reactionsPigment Synthesis and Properties

Nitrous oxide free pathway for selective reduction of NO by hydrogen over supported Pt catalysts

Atsushi Satsuma、Masanori Hashimoto、Junji Shibata 等 5 位作者2003-01-01Chemical Communications

The presence of strong acid sites on a metal oxide support results in a reaction of adsorbed NH4+ species in a flow of NO + O2, which is a N2O free pathway in selective catalytic reduction of NO by H2 over supported Pt catalysts.

Catalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionIndustrial Gas Emission Control

Rheological and mechanical properties of dynamically cured poly(vinyl chloride)/nitrile butadiene rubber thermoplastic elastomers

Ahmad Mousa、U. S. Ishiaku、Z. A. Mohd Ishak2003-01-01Polymer International

Abstract Plasticized poly(vinyl chloride)/nitrile butadiene rubber (PVC/NBR) thermoplastic elastomers (TPEs) were dynamically cured in the melt stage with the incorporation of a semi‐efficient curing system using a Brabender Plasticorder at 150 °C and rotor speed of 50 rev min −1 . Sulfur concentration was progressive…

Polymer Nanocomposites and Propertiesbiodegradable polymer synthesis and propertiesPolymer Science and PVC

Solubility of 9-Fluorenone in Organic Nonelectrolyte Solvents: Comparison of Observed Versus Predicted Values Based Upon Mobile Order Theory

Cassandra I. Monárrez、Dawn M. Stovall、Jee H. Woo 等 5 位作者2003-01-01Physics and Chemistry of Liquids

Experimental solubilities are reported at 25.0C for 9-fluorenone dissolved in 40 different organic nonelectrolyte solvents containing ether-, chloro-, hydroxy-, cyano and t -butyl-functional groups. Results of these measurements are used to test the applications and limitations of expressions derived from Mobile Order…

Ionic liquids properties and applicationsThermodynamic properties of mixturesCrystallization and Solubility Studies

In‐vitro Crystallization of Calcium Carbonate in the Presence of Biological Additives — Comparison of the Ammonium Carbonate Method with Double‐Diffusion Techniques

Alexander Becker、Wilhelm Becker、Julia C. Marxen 等 4 位作者2003-01-01Zeitschrift für anorganische und allgemeine Chemie

Abstract The biomineralization process was simulated in vitro by the precipitation of calcium carbonate in the presence of two biological additives: bovine serum albumin (BSA) and soluble matrix from the shell of the freshwater snail Biomphalaria glabrata . The crystallization was carried out with the classical ammoni…

Bone Tissue Engineering MaterialsPolymer Surface Interaction StudiesCalcium Carbonate Crystallization and Inhibition

Self-assembled cholesteric liquid crystal gels: preparation and scattering-based electrooptical switching

Xia Tong、Yue Zhao2003-01-01Journal of Materials Chemistry

Two gelator compounds were used to prepare self-assembled cholesteric liquid crystal (CLC) gels. The presence of a physical network formed by the fibrous aggregates of the gelators in the CLC host creates inhomogeneous domains and generates a highly scattering state. The scattering-based electrooptical switching effec…

Liquid Crystal Research AdvancementsLipid Membrane Structure and BehaviorSupramolecular Self-Assembly in Materials

A two-step process for the synthesis of MoTe2 nanotubes: combining a sonochemical technique with heat treatment

Longhui Qiu、Vilas G. Pol、Yun Wei 等 4 位作者2003-01-01Journal of Materials Chemistry

A novel two-step approach to the synthesis of nanotubes of a transition metal dichalcogenide is reported. The synthesis combines a sonochemical reaction and an annealing process. MoTe2 nanotubes have been synthesized by calcining amorphous nanoparticles of MoTe2 which were sonochemically synthesized by reacting Te wit…

2D Materials and ApplicationsChalcogenide Semiconductor Thin FilmsBoron and Carbon Nanomaterials Research

Barium hexaaluminate nanowhiskers synthesized by novel sol–gel process in reverse micellar media

Prashant Sahu、B. D. Kulkarni、Ramdas B. Khomane 等 7 位作者2003-01-01Chemical Communications

Barium hexaaluminate (BHA) synthesized by coupling of sol-gel process in reverse microemulsions shows a unique nanowhisker morphology and high surface area, which are retained after calcination at 1300 degrees C.

Ferroelectric and Piezoelectric MaterialsMesoporous Materials and CatalysisAcoustic Wave Resonator Technologies

High Performance Electrode for Medium-Temperature Solid Oxide Fuel Cells

Hiroyuki Uchida、Shinsuke Suzuki、Masahiro Watanabe2003-01-01Electrochemical and Solid-State Letters

We have developed high performance anode for medium-temperature solid oxide fuel cells. Mixed conducting samaria-doped ceria (SDC) particles were employed in combination with highly dispersed metal electrocatalysts on their surfaces. A small amount of Ni nanoparticles (6-8 vol %) enhanced the anode performance signifi…

Advancements in Solid Oxide Fuel CellsFuel Cells and Related MaterialsElectronic and Structural Properties of Oxides

Electrooptic and Viewing Angle Characteristics of a Display Device Employing a Discotic Nematic Liquid Crystal

Geetha G. Nair、D. S. Shankar Rao、S. Krishna Prasad 等 5 位作者2003-01-01Molecular Crystals and Liquid Crystals

Recently we developed [1] a novel liquid crystal display device employing discotic nematic material. This device exhibits the following improvements over a conventional twisted nematic (TN) display device using a calamitic nematic material. The device (i) is simple to fabricate and (ii) has excellent viewing angle cha…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsSemiconductor Lasers and Optical Devices

On the Mass Impact Loading of Ductile Plates

Norman Jones2003-01-01Defence Science Journal

This paper examines the response of circular and square plates stluck by a rigid mass at the plate centre with a sufficient initial kinetic energy to produce large inelastic deformations. A simpliiicd analysis, which retains finite-deflection effects and assumes that the plates are made of a rigid, perfectly plastic m…

Mechanical Behavior of CompositesHigh-Velocity Impact and Material BehaviorStructural Response to Dynamic Loads