Search results for "Material chemistry"

showing 10 items of 413 documents

New fine structures resolved at the ELNES Ti-L2,3 edge spectra of anatase and rutile: comparison between experiment and calculation.

2010

Abstract Anatase and rutile Ti- L 2,3 edge spectra were measured in electron energy loss spectroscopy (EELS) using a transmission electron microscope (TEM) coupled to a CEOS Cs-probe corrector, an omega-type monochromator and an in-column omega-type energy filter fully corrected for 2nd order aberrations. Thanks to the high energy resolution, high electron probe current and high stability achieved under this instrumental configuration, new fine structures, never reported before, were resolved at the L 3 band of both rutile and anatase. The data suggest that new peaks also exist in the L 2 e g band. The experimental spectra are compared with multichannel multiple scattering (MMS) calculation…

010302 applied physicsLigand field theoryAnataseMaterials scienceScatteringElectron energy loss spectroscopyAnalytical chemistry02 engineering and technology[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnology01 natural sciencesMolecular physicsAtomic and Molecular Physics and OpticsSpectral lineElectronic Optical and Magnetic Materialslaw.inventionG bandlaw[ CHIM.MATE ] Chemical Sciences/Material chemistry0103 physical sciences0210 nano-technologyElectronic band structureInstrumentationComputingMilieux_MISCELLANEOUSMonochromator
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ABSOLUTE THERMOELECTRIC POWER OF Pb–Sn ALLOYS

2011

International audience; In this work, absolute thermoelectric power (ATP) of Pb, Sn, Pb-20 wt.% Sn, Pb-40 wt.% Sn, Pb-60 wt.% Sn, Pb-80 wt.% Sn are measured. Measurements are performed in a temperature gradient furnace from 20 degrees C to 500 degrees C, for both solid and liquid states. Temperatures are measured with T-type copper-constantan thermocouples, while voltage signal between copper electrodes of those thermocouples is recorded in order to calculate ATP of the sample metal.

010302 applied physicsMaterials scienceAnalytical chemistryStatistical and Nonlinear Physics[CHIM.MATE]Chemical Sciences/Material chemistry02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics7. Clean energy01 natural sciencesMetalCopper electrodeTemperature gradientThermocouplevisual_artSeebeck coefficient0103 physical sciencesvisual_art.visual_art_medium0210 nano-technologyVoltageModern Physics Letters B
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Variable-charge method applied to study coupled grain boundary migration in the presence of oxygen

2009

International audience; One of the important differences between simulation and experiments in grain boundary (GB)-dominated metallic structures is the lack of impurities such as oxygen in computational samples. A modified variable-charge method [Elsener A, Politano O, Derlet PM, Van Swygenhoven H. Modell Simul Mater Sci Eng 2008;16:025006] based on the Streitz and Mintmire approach [Streitz FH, Mintmire JW. Phys Rev B 1994;50:11996] is used to study coupled GB motion in an Al bicrystal with a [1 1 2] symmetrical tilt GB in the presence of substitutional O, and compared with the stick–slip process identified by Cahn and Mishin [Cahn JW, Mishin Y, Suzuki A. Acta Mater 2006;54:4953]. It is found…

010302 applied physicsMaterials sciencePolymers and PlasticsMetals and AlloysBoundary (topology)ThermodynamicsCharge (physics)02 engineering and technology[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyMicrostructure01 natural sciencesElectronic Optical and Magnetic MaterialsShear (sheet metal)Molecular dynamicsImpurityCritical resolved shear stress[ CHIM.MATE ] Chemical Sciences/Material chemistry0103 physical sciencesCeramics and CompositesGrain boundary0210 nano-technology
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Reactive Sintering of molybdenum disilicide by Spark Plasma Sintering from mechanically activated powder mixtures: Processing parameters and properti…

2008

Abstract Dense molybdenum disilicide with a nano-organized microstructure was synthesized by mechanical activation, by producing nanostructured agglomerates of a 1:2 mixture of Mo and Si, followed by the synthesis/consolidation in one step using SPS technology. In order to synthesize a dense molybdenum disilicide with a perfectly controlled microstructure, an investigation of the influence of Spark Plasma Sintering processing parameters (temperature, heating rate, mechanical pressure and holding time) on the chemical composition and the microstructure characteristics has been performed. The present work shows also that the so-obtained materials present better oxidation resistance in compari…

010302 applied physicsMaterials scienceScanning electron microscopeMechanical EngineeringMetallurgyMetals and AlloysMolybdenum disilicideSpark plasma sinteringSintering02 engineering and technology[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyMicrostructure01 natural scienceschemistry.chemical_compoundchemistryMechanics of MaterialsAgglomerate[ CHIM.MATE ] Chemical Sciences/Material chemistry0103 physical sciencesOxidizing agentVickers hardness testMaterials Chemistry0210 nano-technologyComputingMilieux_MISCELLANEOUS
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Aqueous Corrosion of the GeSe4 Chalcogenide Glass: Surface Properties and Corrosion Mechanism

2009

International audience; The aqueous corrosion behavior of the GeSe4 glass composition has been studied over time under various conditions (temperature and pH). The evolution of the surface topography by atomic force microscopy and properties such as surface hardness and reduced modulus, as well as the optical transmission in the 1-16 μm window, have been measured as a function of time spent in the corrosive solution. It was found that even if the glass reacts at room temperature, its optical transparency was barely affected. Nevertheless, the durability of GeSe4 was found to be drastically affected by an increase of both temperature and pH. Furthermore, pure selenium nanoparticles were form…

010302 applied physicsReaction mechanismOptical fiberMaterials scienceMetallurgyHexagonal phaseNanoparticleChalcogenide glass02 engineering and technologyActivation energy[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnology01 natural sciencesHardnesslaw.inventionCorrosionChemical engineeringlaw[ CHIM.MATE ] Chemical Sciences/Material chemistry0103 physical sciencesMaterials ChemistryCeramics and Composites0210 nano-technology
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Spark Plasma Sintering of Metallic Glasses

2019

Spark plasma sintering (SPS) of metallic glasses (MG) can be quite different from sintering crystalline metallic alloys. Indeed, MG behave differently with increasing temperature, as they encounter a glass transition and devitrification. Their shaping can thus be compared to what can be performed on thermoplastic polymers. SPS is a promising way to prepare bulk parts from amorphous powders, since it allows very fast heating and cooling rates. It gives an advantage to avoid or limit devitrification of the amorphous phase upon the thermal cycle. However, diffusion mechanisms, which generally control densification, are activated at temperatures that are not compatible with MG structural integr…

010302 applied physics[CHIM.MATE] Chemical Sciences/Material chemistryAmorphous metalMaterials scienceDiffusionComposite numberSinteringSpark plasma sintering02 engineering and technology[CHIM.MATE]Chemical Sciences/Material chemistry01 natural sciencesAmorphous solid020303 mechanical engineering & transportsDevitrification0203 mechanical engineering0103 physical sciencesComposite materialGlass transitionComputingMilieux_MISCELLANEOUS
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Production of dense nanostructured materials using FAPAS and SPS techniques

2011

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010302 applied physics[CHIM.MATE] Chemical Sciences/Material chemistryMaterials scienceNanostructured materialsMetallurgySpark plasma sintering[CHIM.MATE]Chemical Sciences/Material chemistry02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesGrain size[ CHIM.MATE ] Chemical Sciences/Material chemistry0103 physical sciences0210 nano-technologyComputingMilieux_MISCELLANEOUS
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The Taming of Redox‐Labile Phosphidotitanocene Cations

2019

International audience; Tame d0 phosphidotitanocene cations stabilized with a pendant tertiary phosphane arm are reported. These compounds were obtained by one-electron oxidation of d1 precursors with [Cp2Fe][BPh4]. The electronic structure of these compounds was studied experimentally (EPR, UV/Vis, and NMR spectroscopy, X-ray diffraction analysis) and through DFT calculations. The theoretical analysis of the bonding situation by using the electron localization function (ELF) shows the presence of π-interactions between the phosphido ligand and Ti in the d0 complexes, whereas dπ–pπ repulsion prevents such interactions in the d1 complexes. In addition, CH–π interactions were observed in seve…

010402 general chemistry01 natural sciencesRedoxTransition metal phosphidesCatalysisFrustrated Lewis pairlaw.inventionchemistry.chemical_compoundFrustrated Lewis Pair (FLP)[CHIM.ANAL]Chemical Sciences/Analytical chemistrylaw[CHIM.COOR]Chemical Sciences/Coordination chemistryPhosphorus LigandsElectron paramagnetic resonanceDiphenylacetyleneComputingMilieux_MISCELLANEOUSTitanium[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryLigandOrganic Chemistry[CHIM.MATE]Chemical Sciences/Material chemistryGeneral ChemistryNuclear magnetic resonance spectroscopyElectron localization function0104 chemical sciencesHomolysis[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryDensity Functional Theory (DFT)Crystallographychemistry[CHIM.CHEM]Chemical Sciences/CheminformaticsChemistry – A European Journal
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Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.

2014

International audience; The reversible redox isomerisms in first row transition metal complexes of the type ML2 were studied. The six ML2 complexes (M = Mn(III) (), Fe(II) (), Co(III) (), Ni(II) (), Cu(II) () and Zn(II) ()) were synthesized with a redox active Schiff base ligand [2-(3,5-di-tert-butyl-2-hydroxyphenylamino)-4-chlorophenol] (H3L) presenting different oxidation states from -2 to 0 (L(2-), L(-) and L(0)). EPR spectra and magnetic susceptibility measurements indicate the presence of complexes of the type [Mn(III)(L(2-))(L(-))] () with S = 1/2, [Fe(II)(L(-))2] () with S = 2, [Co(III)(L(2-))(L(-))] () with S = 1/2, [Ni(II)(L(-))2] () with S = 1, [Cu(II)(L(-))2] () with S = 1/2 and …

010402 general chemistryLigands01 natural sciencesRedoxlaw.inventionInorganic Chemistrychemistry.chemical_compoundElectron transferTransition metalIsomerismlawCoordination ComplexesMetals HeavyElectron paramagnetic resonanceSchiff BasesValence (chemistry)Schiff base010405 organic chemistryLigand[CHIM.MATE]Chemical Sciences/Material chemistryTautomer0104 chemical sciences3. Good healthCrystallographychemistryOxidation-Reduction
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An investigation of photo- and pressure-induced effects in a pair of isostructural two-dimensional spin-crossover framework materials

2014

International audience; Two new isostructural iron(II) spin-crossover (SCO) framework (SCOF) materials of the type [Fe(dpms)2 (NCX)2 ] (dpms=4,4'-dipyridylmethyl sulfide; X=S (SCOF-6(S)), X=Se (SCOF-6(Se))) have been synthesized. The 2D framework materials consist of undulating and interpenetrated rhomboid (4,4) nets. SCOF-6(S) displays an incomplete SCO transition with only approximately 30 % conversion of high-spin (HS) to low-spin iron(II) sites over the temperature range 300-4 K (T1/2 =75 K). In contrast, the NCSe(-) analogue, SCOF-6(Se), displays a complete SCO transition (T1/2 =135 K). Photomagnetic characterizations reveal quantitative light- induced excited spin-state trapping (LIES…

010405 organic chemistryChemistryIronOrganic ChemistrySpin transitionMineralogyGeneral Chemistry[CHIM.MATE]Chemical Sciences/Material chemistryAtmospheric temperature range010402 general chemistrySpin crossover01 natural sciencesCatalysisLIESST0104 chemical sciencesCoordination polymersChalcogenCrystallographySpin crossoverExcited stateMetastabilityMagnetic propertiesChalcogensIsostructural
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