Search results for "boron"

showing 10 items of 352 documents

First-principles calculations of point defects in inorganic nanotubes

2013

The first-principles calculations have been performed to investigate the ground-state properties of monoperiodic boron nitride (BN), TiO2, and SrTiO3 single-walled nanotubes (SW NTs) containing extrinsic point defects. The hybrid exchange–correlation functionals PBE, B3LYP, and B3PW within the framework of density functional theory (DFT) have been applied for large-scale ab initio calculations on NTs with the following substitutional impurities: AlB, PN, GaB, AsN, InB, and SbN in the BN NT, as well as CO, NO, SO, and FeTi in the TiO2 and SrTiO3 NTs, respectively. The variations in formation energies obtained for equilibrium defective nanostructures allow us to predict the most stable compos…

Materials scienceOrbital hybridisationIntermolecular forceDopingElectronic structureCondensed Matter PhysicsCrystallographic defectElectronic Optical and Magnetic Materialschemistry.chemical_compoundchemistryBoron nitrideComputational chemistryAb initio quantum chemistry methodsChemical physicsDensity functional theoryphysica status solidi (b)
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The boron effect on low temperature luminescence of SrAl2O4:Eu, Dy

2020

V.V. acknowledges the financial support of ERDF PostDoc project No. 1.1.1.2/VIAA/3/19/440 (University of Latvia Institute of Solid State Physics, Latvia) and K.S., I.B., A.Z., D.M. and K.L. acknowledge the financial support of ERDF, European-Union Project No. 1.1.1.1/16/A/182 (University of Latvia Institute of Solid State Physics, Latvia).

Materials sciencePersistent luminescenceAnalytical chemistrychemistry.chemical_element02 engineering and technologyTrapping7. Clean energy01 natural sciencesPersistent luminescence0103 physical sciencesMaterials Chemistry:NATURAL SCIENCES:Physics [Research Subject Categories]BoronQuantum tunnelling010302 applied physicsLong afterglowProcess Chemistry and Technology021001 nanoscience & nanotechnologySurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAfterglowBoron concentrationchemistryCeramics and Composites0210 nano-technologyLuminescenceIntensity (heat transfer)
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High-pressure synthesis of boron-rich chalcogenides B12S and B12Se

2022

The authors thank Drs. I. Dovgaliuk and T. Chauveau for assistance with Rietveld analysis; and Drs. V. Bushlya and A. Jamali for help with EDX/SEM measurements. This work was financially supported by the European Union's Horizon 2020 Research and Innovation Program under Flintstone2020 project (grant agreement No 689279).

Materials sciencePhononFOS: Physical scienceschemistry.chemical_element02 engineering and technologyCrystal structure[CHIM.INOR]Chemical Sciences/Inorganic chemistry01 natural sciencessymbols.namesake0103 physical sciences[CHIM.CRIS]Chemical Sciences/CristallographyMaterials ChemistryIsostructural010306 general physicsBoronCondensed Matter - Materials ScienceRietveld refinementMechanical EngineeringCrystal structureMetals and AlloysMaterials Science (cond-mat.mtrl-sci):NATURAL SCIENCES::Physics [Research Subject Categories][CHIM.MATE]Chemical Sciences/Material chemistry540021001 nanoscience & nanotechnologyCrystallographychemistryMechanics of MaterialsElemental analysisBoron-rich chalcogenidesddc:540symbolsRaman spectraHigh-pressure synthesis0210 nano-technologyRaman spectroscopyStoichiometry
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Optical Contrast and Raman Spectroscopy Techniques Applied to Few-Layer 2D Hexagonal Boron Nitride

2019

The successful integration of few-layer thick hexagonal boron nitride (hBN) into devices based on two-dimensional materials requires fast and non-destructive techniques to quantify their thickness. Optical contrast methods and Raman spectroscopy have been widely used to estimate the thickness of two-dimensional semiconductors and semi-metals. However, they have so far not been applied to two-dimensional insulators. In this work, we demonstrate the ability of optical contrast techniques to estimate the thickness of few-layer hBN on SiO2/Si substrates, which was also measured by atomic force microscopy. Optical contrast of hBN on SiO2/Si substrates exhibits a linear trend with the number of h…

Materials sciencePhononGeneral Chemical Engineering02 engineering and technologySubstrate (electronics)010402 general chemistry01 natural sciencesArticlelcsh:ChemistryCondensed Matter::Materials Sciencesymbols.namesakeAb initio quantum chemistry methodsMonolayerGeneral Materials Scienceoptical contrasttwo-dimensional materialsSpectroscopybusiness.industry021001 nanoscience & nanotechnologyHexagonal boron nitride0104 chemical sciencesSemiconductorlcsh:QD1-999Raman spectroscopysymbolsOptoelectronics0210 nano-technologyRaman spectroscopybusinessLayer (electronics)Nanomaterials
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High-Pressure Softening of the Out-of-Plane A2u(Transverse-Optic) Mode of Hexagonal Boron Nitride Induced by Dynamical Buckling

2019

We investigate the highly anisotropic behavior of the in-plane and out-of-plane infrared-active phonons of hexagonal boron nitride by means of infrared reflectivity and absorption measurements under high pressure. Infrared reflectivity spectra at normal incidence on high-quality single crystals show strict fulfillment of selection rules and an unusually long E1u[transverse-optic (TO)] phonon lifetime. Accurate values of the dielectric constants at ambient pressure ϵ0= 6.96, ϵ∞= 4.95, ϵ 0= 3.37, and ϵ∞ = 2.84 have been determined from fits to the reflectivity spectra. The out-of-plane A2u phonon reflectivity band is revealed in measurements on an inclined facet, and absorption measurements a…

Materials sciencePhononReflectionAstrophysics::Cosmology and Extragalactic Astrophysics02 engineering and technologyNitride010402 general chemistry01 natural sciencesNitridesCondensed Matter::Materials Sciencechemistry.chemical_compoundCondensed Matter::SuperconductivityPhysical and Theoretical ChemistryAbsorption (electromagnetic radiation)AnisotropySofteningAstrophysics::Galaxy AstrophysicsCondensed matter physics021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsBoron nitrideTransverse planeGeneral EnergychemistryBucklingBoron nitride[PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other][PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]CalculationsIII-V semiconductorsPhononsSingle crystalsAstrophysics::Earth and Planetary Astrophysics0210 nano-technology
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Heteropolyacids supported on boron nitride and carbon nitride for catalytic and catalytic photo-assisted alcohol dehydration

2021

Keggin H3PW12O40 (PW12) and Wells-Dawson H6P2W18O60 (P2W18) heteropolyacids (HPAs) are photo(catalysts) for various acid-promoted and redox catalytic reactions. Their activity increases if they are deposited on certain supports as metal oxides or carbon materials. Although the surface area and acid-base interactions of the HPAs with supports are considered as key factors for the performance of the binary material, the role of the local structure changes in the HPAs upon their immobilization on solids must be also of primary importance, directly affecting both acidity and photoredox properties. Here, the (photo)catalytic performance of Keggin and Wells-Dawson heteropolytungstates supported o…

Materials sciencePhoto assistedAlcohol02 engineering and technology010402 general chemistry01 natural sciencesCatalysisCatalysis2-Propanol dehydration Boron nitride Carbon nitride Heteropolyacid Keggin Photocatalysis Wells-Dawsonchemistry.chemical_compoundHeteropolyacid | KegginWells-Dawsonmedicine2-Propanol dehydrationDehydrationPhotocatalysisCarbon nitrideGeneral ChemistryCarbon nitrides021001 nanoscience & nanotechnologymedicine.disease0104 chemical sciencesBoron nitrideKeggin Wells-Dawson Heteropolyacid Boron nitride Carbon nitride 2-Propanol dehydration PhotocatalysischemistryBoron nitrideSettore CHIM/07 - Fondamenti Chimici Delle TecnologieMethanol0210 nano-technologyNuclear chemistryCatalysis Today
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Luminescence of Ce‐doped borate‐oxyfluoride glass ceramics

2007

In the present work we studied the possibility to obtain oxyfluoride glass ceramics based on a lithium and potassium borate glasses with addition of fluorides. Lithium-borate glasses without lanthanum fluoride are transparent up to 275 nm. In samples with LaF3 doped with Ce-activator, an additional absorption at about 300 nm and intense photoluminescence could be observed. Ce-doped potassium-borate glass with addition of fluorides LaF3, LiF and GdF3 was milky and not transparent, an intense photoluminescence has been observed, X-ray diffraction measurements showed a presence of well-pronounced crystalline phases of LiF as well as of GdBO3. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

Materials sciencePhotoluminescenceDopingAnalytical chemistryMineralogychemistry.chemical_elementGDF3Condensed Matter Physicschemistryvisual_artvisual_art.visual_art_mediumLithiumCeramicAbsorption (chemistry)LuminescenceBoronphysica status solidi c
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A nondestructive analysis of the B diffusion in Ta–CoFeB–MgO–CoFeB–Ta magnetic tunnel junctions by hard x-ray photoemission

2010

This work reports on hard x-ray photoelectron spectroscopy (HAXPES) of CoFeB based tunnel junctions. Aim is to explain the role of the boron diffusion for the observed improvement of the tunneling magnetoresistance ratio with increasing annealing temperature. The high bulk sensitivity of HAXPES was used as a nondestructive technique to analyze CoFeB–MgO–CoFeB magnetic tunnel junctions. The investigated samples were processed at different annealing temperatures from 523 to 923 K. Hard x-ray core level spectroscopy reveals an enforced diffusion of boron from the CoFeB into the adjacent Ta layer with increasing annealing temperature. The dependence of the tunneling magnetoresistance on the ann…

Materials sciencePhysics and Astronomy (miscellaneous)MagnetoresistanceSpin polarizationCondensed matter physicsAnnealing (metallurgy)Fermi levelchemistry.chemical_elementHeterojunctionFermi energyCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter::Materials Sciencesymbols.namesakechemistryX-ray photoelectron spectroscopyCondensed Matter::SuperconductivitysymbolsBoronApplied Physics Letters
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A stable path to ferromagnetic hydrogenated graphene growth

2014

In this paper, we propose a practical way to stabilize half-hydrogenated graphene (graphone). We show that the dipole moments induced by an hexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogen atoms on one sublattice of the graphene layer and suppress the migration of the absorbed hydrogen atoms. Based upon first principle spin polarized density of states (DOS) calculations, we show that the half hydrogenated graphene (graphone) obtained in different graphene-h-BN heterostructures exhibits a half metallic state. We propose to use this new exotic material for spin valve and other spintronics devices and applications.

Materials scienceSpintronicsCondensed matter physicsCondensed Matter - Mesoscale and Nanoscale PhysicsGrapheneCondensed Matter::OtherSpin valveFOS: Physical sciencesPhysics::OpticsHEXAGONAL BORON-NITRIDE; GRAPHONENitrideCondensed Matter PhysicsElectronic Optical and Magnetic Materialslaw.inventionDipoleCondensed Matter::Materials SciencelawMesoscale and Nanoscale Physics (cond-mat.mes-hall)Density of statesPhysics::Atomic and Molecular ClustersPhysics::Atomic PhysicsBilayer grapheneGraphene nanoribbons
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Electrochemical treatment of real wastewater. Part 1: Effluents with low conductivity

2018

Abstract The treatment of a real wastewater characterized by low conductivity was performed by anodic oxidation at boron doped diamond (BDD) in both conventional and microfluidic cells. The electrolyses carried out in conventional cells without supporting electrolyte were characterized by very high TOC removals but excessively high energetic consumptions and operating costs. The addition of sodium sulphate, as supporting electrolyte, allowed to strongly reduce the cell potentials and consequently the energetic consumptions and the operating costs. However, under various operating conditions, the addition of Na2SO4 caused a lower removal of the TOC. The best results in terms of both TOC remo…

Materials scienceSupporting electrolyteGeneral Chemical EngineeringSodiumchemistry.chemical_element02 engineering and technologyWastewater treatment010501 environmental sciencesConductivityElectrochemistry01 natural sciencesIndustrial and Manufacturing EngineeringLow conductivityEnvironmental ChemistryChemical Engineering (all)Micro reactorEffluent0105 earth and related environmental sciencesBoron doped diamondWaste managementAnodic oxidationChemistry (all)General Chemistry021001 nanoscience & nanotechnologyReal wastewaterElectrochemical oxidationWastewaterChemical engineeringchemistry0210 nano-technology
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