Search results for "Metal"

showing 10 items of 7908 documents

Ternary transition metals sulfides in hydrotreating catalysis.

2007

International audience; Pure microcrystalline barium molybdate BaMoO4 and barium tungstate BaWO4 materials were prepared by molten flux reaction using alkali metal nitrates as reaction media. The obtained crystals have rhombic shape and expose mostly (111) crystallographic planes. Their mean size depends on the flux temperature and the nature of the alkali metal cation. Monomeric molybdate and tungstate used as precursors yield target products already at 673 K whereas if polymerized ammonium oxosalts were used, then higher temperatures were necessary to obtain barium salts. The optimal temperature for the preparation of pure crystals with well defined shape was found to be near 773 K. UV–vi…

"Volcano plots"Inorganic chemistryTernary sulfides02 engineering and technology010402 general chemistryHeterogeneous catalysis01 natural sciencesCatalysisCatalysis"Hydrodesulfurization"[PHYS.PHYS.PHYS-CHEM-PH] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]Electronegativitychemistry.chemical_compoundElectronegativityTransition metalThiopheneBond energyVolcano plotsComputingMilieux_MISCELLANEOUSHydrodesulfurization"Ternary sulfides"Process Chemistry and Technology[CHIM.CATA]Chemical Sciences/Catalysis021001 nanoscience & nanotechnology[SDE.ES]Environmental Sciences/Environmental and Society0104 chemical sciences[ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]chemistry[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]"Electronegativity"0210 nano-technologyTernary operationHydrodesulfurization
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Kopolimery olefin z alkenylosilseskwioksanami

2016

Artykuł stanowi przegląd literatury dotyczącej syntezy i charakterystyki materiałów hybrydowych uzyskanych na drodze kopolimeryzacji alkenylopodstawionych silseskwioksanów z olefinami. Przedstawiono przykłady wykorzystania m.in. procesów kopolimeryzacji koordynacyjnej do syntezy kopolimerów olefin i silseskwioksanów (POSS). Jednocześnie wskazano korzyści płynące z obecności POSS w strukturze polimeru, które przekładają się na jego zwiększoną odporność termiczną oraz parametry mechaniczne.

(ko)polimeryzacja koordynacyjnamateriały hybrydowekompleksy metalocenowenienasycone silseskwioksanyPOSS
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Structure, morphology and photoluminescence emissions of ZnMoO4: RE 3+=Tb3+ - Tm3+ - X Eu3+ (x = 1, 1.5, 2, 2.5 and 3 mol%) particles obtained by the…

2018

Made available in DSpace on 2018-12-11T17:36:34Z (GMT). No. of bitstreams: 0 Previous issue date: 2018-06-25 Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Ministerio de Economía y Competitividad ZnMoO4 and ZnMoO4: RE3+ = 1% Tb3+, 1% Tm3+, x Eu3+ (x = 1, 1.5, 2, 2.5 and 3 mol%) particles were prepared by a sonochemical method. The influence of the dopant content on photoluminescent behavior was investigated. The X-ray diffraction results confirmed the formation of the α-ZnMoO4 phase with a triclinic crystalline structure. The influence of th…

- Tm3+- Eu3+PhotoluminescenceMaterials scienceEu3+Tm3+Band gapAnalytical chemistryPhosphor02 engineering and technologyTriclinic crystal system010402 general chemistry01 natural sciencesSonochemical method PhotoluminescenceTb3+Materials ChemistrySINTERIZAÇÃOPhotoluminescenceQuenchingDopantMechanical EngineeringMetals and AlloysTb3+ [ZnMoO4]021001 nanoscience & nanotechnology0104 chemical sciencesMechanics of MaterialsDensity functional theoryZnMoO4Wulff constructionSonochemical method0210 nano-technology
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First principles hybrid Hartree-Fock-DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides

2020

Valuable discussions with E. A. Kotomin are gratefully acknowledged. Research contribution of R. E. and A. I. P. has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion applications.” The views and opinions expressed herein do not necessarily reflect those of the European Commission.

010302 applied physicsAlkaline earth metalMaterials sciencePhysics and Astronomy (miscellaneous)F centerperovskitesGeneral Physics and AstronomyIonic bondingElectronic structure7. Clean energy01 natural sciencesCrystallographic defectCrystallographyAb initio quantum chemistry methodsVacancy defect0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Ab initio calculations010306 general physicsShallow donorPerovskite (structure)
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Migration kinetics of ion-implanted beryllium in glassy carbon

2008

Abstract Migration kinetics of low-concentration implanted 7 Be in glassy carbon has been studied by the modified radiotracer technique at temperatures 1285 °C and 1340 °C. The annealed sample concentration profiles show two distinctive components: (i) Main profile broadening assigned to beryllium trapping in defects during annealing. (ii) Tail parts on both sides of the profile maximum related to faster migration. Of the latter the profile representing bulk diffusion lies on the region free of defect influence and is well described by concentration-independent diffusivity. The features of the concentration profile broadening towards the sample surface indicate partial Be trapping in defect…

010302 applied physicsAnnealing (metallurgy)Mechanical EngineeringAnalytical chemistrychemistry.chemical_elementDiamond02 engineering and technologyGeneral ChemistryTrappingengineering.materialGlassy carbon021001 nanoscience & nanotechnologyThermal diffusivity01 natural sciencesElectronic Optical and Magnetic MaterialsIonchemistryImpurity0103 physical sciencesMaterials ChemistryengineeringElectrical and Electronic EngineeringBeryllium0210 nano-technologyDiamond and Related Materials
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Structural characterization and electrochemical hydrogen storage properties of Ti2LxZrxNi (x [ 0, 0.1, 0.2) alloys prepared by mechanical alloying

2013

International audience; Nominal Ti2Ni was synthesized under argon atmosphere at room temperature using a planetary high-energy ball mill. The effect of milling time and Zr substitution for Ti on the microstructure was characterized by XRD, SEM and TEM, and the discharge capacities of Ti2xZrxNi (x 1/4 0, 0.1, 0.2) were examined by electrochemical measurements at galvanostatic conditions. XRD analysis shows that amorphous phase of Ti2Ni can be elaborated by 60 h of milling, whereas Zr substitution hinders amorphization process of the system. The products of ball milling nominal Ti2xZrxNi (x 1/4 0.1, 0.2) were austenitic (Ti, Zr)Ni and partly TiO, despite the fact that the operation was carrie…

010302 applied physicsAusteniteMaterials scienceRenewable Energy Sustainability and the Environment020209 energyMetallurgyEnergy Engineering and Power Technology02 engineering and technologyCondensed Matter PhysicsElectrochemistryMicrostructure01 natural sciences7. Clean energyCharacterization (materials science)Amorphous solidHydrogen storageFuel TechnologyChemical engineering0103 physical sciences0202 electrical engineering electronic engineering information engineering[ SPI.NANO ] Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics[SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/MicroelectronicsBall millCurrent density
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Elastic properties of the sigma W-Re phase: A first principles investigation

2017

Abstract We perform density functional theory (DFT) calculations to obtain the formation enthalpy and six independent elastic constants for the 32 possible occupations of the five non-equivalent sites of the σ -phase. The obtained results suggest linear correlation between bulk modulus and Re concentration and between shear modulus and formation enthalpy. The results are used to parameterize a sublattice model with ideal mixing on each sublattice for the free energy and elastic constants. The model allows one to predict the equilibrium composition on each sublattice and hence elastic constants as a function of global Re concentration and temperature of the W-Re alloy.

010302 applied physicsBulk modulusMaterials scienceMechanical EngineeringEnthalpyMetals and AlloysThermodynamicsSigma02 engineering and technologyFunction (mathematics)021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesShear modulusMechanics of MaterialsPhase (matter)0103 physical sciencesGeneral Materials ScienceDensity functional theory0210 nano-technologyMixing (physics)Scripta Materialia
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Dielectric response of BaTiO3 electronic states under AC fields via microsecond time-resolved X-ray absorption spectroscopy

2021

Abstract For the first time, the dielectric response of a BaTiO 3 thin film under an AC electric field is investigated using microsecond time-resolved X-ray absorption spectroscopy at the Ti K-edge in order to clarify correlated contributions of each constituent atom on the electronic states. Intensities of the pre-edge e g peak and shoulder structure just below the main edge increase with an increase in the amplitude of the applied electric field, whereas that of the main peak decreases in an opposite manner. Based on the multiple scattering theory, the increase and decrease of the e g and main peaks are simulated for different Ti off-center displacements. Our results indicate that these s…

010302 applied physicsCondensed Matter - Materials ScienceX-ray absorption spectroscopyMaterials sciencePolymers and PlasticsAbsorption spectroscopyMetals and AlloysMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciences02 engineering and technologyElectronic structure021001 nanoscience & nanotechnology01 natural sciencesFerroelectricityMolecular physicsElectronic Optical and Magnetic MaterialsIonMicrosecondElectric field0103 physical sciencesAtomCeramics and Composites0210 nano-technologyActa Materialia
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A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant

2016

For half-Heusler alloys, the general formula is XYZ, where X can be a transition or alkali metal element, Y is another transition metal element, typically Mn or Cr, and Z is a group IV element or a pnicitide. The atomic arrangements within a unit-cell show three configurations. Before this study, most of the predictions of half-metallic properties of half-Heusler alloys at the lattice constants differing from their optimized lattice constant. Based on the electropositivity of X and electronegativity of Z for half-Heusler alloys, we found that one of the configurations of LiCrS exhibits half-metallic properties at its optimized lattice constant of 5.803Å, and has the maximum atomic-like magn…

010302 applied physicsCondensed matter physicsMagnetic momentChemistryAlloyGeneral Physics and Astronomy02 engineering and technologyengineering.material021001 nanoscience & nanotechnologyAlkali metal01 natural scienceslcsh:QC1-999ElectronegativityMetalCondensed Matter::Materials ScienceLattice constantTransition metalGroup (periodic table)visual_art0103 physical sciencesengineeringvisual_art.visual_art_medium0210 nano-technologylcsh:PhysicsAIP Advances
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Conic optical fiber probe for generation and characterization of microbubbles in liquids

2021

Abstract A novel optical fiber probe has been developed to provide mechanical stability to microbubbles generated in fluids, the tip of the fiber is etched with hydrofluoric acid to pierce a truncated horn that fastens the microbubbles to the fiber tip and prevents misalignment or detachment caused by convection currents, vibrations or shocks in the liquid. Microbubbles are photo-thermally generated on the etched fiber and used as Fabry-Perot cavity sensor. Two methods were used to interrogate the probe: the first one, in the wavelength domain, is suitable for calibration in static or quasi static situations; the second one, in the time domain, can be used in dynamic environments. Experimen…

010302 applied physicsConvectionMaterials sciencebusiness.industryMetals and Alloys02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsWavelengthOptics0103 physical sciencesMicrobubblesCalibrationFiberTime domainElectrical and Electronic Engineering0210 nano-technologybusinessInstrumentationQuasistatic processBar (unit)Sensors and Actuators A: Physical
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