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Search results for: x-ray photoelectron spectroscopy
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Results after grinding C45 steel
Open Research DataThe database contains results from nanoindenter, scanning microscope and also X-ray diffractometer. To determine the residual stresses and the size of the crystallites in the ferrite grains in the grinded surface layer, the Williamson Hall analysis of the X-ray diffraction patterns was performed. XRD diffraction patterns were also used to perform a...
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Enhanced solar light photocatalytic performance of Fe-ZnO in the presence of H2O2, S2O82−, and HSO5− for degradation of chlorpyrifos from agricultural wastes: Toxicities investigation
PublicationThis study reported Fe doped zinc oxide (Fe-ZnO) synthesis to degrade chlorpyrifos (CPY), a highly toxic organophosphate pesticide and important sources of agricultural wastes. Fourier transform infrared, X-ray diffraction, scanning electron microscope, and energy-dispersive X-ray spectroscopic analyses showed successful formation of the Fe-ZnO with highly crystalline and amorphous nature. Water collected from agricultural wastes...
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
PublicationTwo unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine.The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane 2-oxide (2a) illustrates theproduct of N-phosphorylation of phenothiazine. Moreover, a potential product of 2a instability,a thiophosphoric acid 2b, was successfully isolated and structurally characterized. Molecule 2a,similarly to sulfoxide derivative...
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Crystal and electronic structures of Ni(II) silanethiolates containing flexible diamine ligands
PublicationFive nickel(II) complexes containing aliphatic diamines and tri-tert-butoxysilanethiolate ligand have been synthesized for the purpose of studying their structural, spectral (IR, UV–Vis, HF EPR) and thermal properties. Complexes (1)–(5) have been prepared in high yield by reactions of [Ni{SSi(OtBu)3}2(NH3)(H2O)] with 1.3-propanediamine (L1), 1,6-hexanediamine (L2), or 1,7-heptanediamine (L3). The X-ray structures were determined...
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Is It Right To Predict Cutting Forces On The Basis Of Wood Density?
PublicationSeveral properties of wood can be correlated to wood density. It is widely accepted that the cutting power requirements are following this general assumption. Therefore, according to classic literature sources available for determination of the cutting power for both band- and circular- sawing machines, the cutting power requirements (and/or cutting forces) are computed as a function of the wood specific gravity SG. It was shown...
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Chemical analysis of the Au-Ag nanoaloys
Open Research DataThe nanostructures of AuAg nanoalloys were prepared by sequential sputtering of gold and silver thin films. Single layer thickness was usually 2.8 nm were deosted by magnetron sputtering method in a Ar plasma. As deposited layers were annealed in Ar atmosphere at 550 degress for 15 minutes. For XPS measurements five samples were selected: pure gold...
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Quantification of Compatibility Between Polymeric Excipients and Atenolol Using Principal Component Analysis and Hierarchical Cluster Analysis
PublicationAn important challenge to overcome in the solid dosage forms technology is the selection of the most biopharmaceutically efficient polymeric excipients. The excipients can be selected, among others, by compatibility studies since incompatibilities between ingredients of the drug formulations adversely affect their bioavailability, stability, efficacy, and safety. Therefore, new, fast, and reliable methods for detecting incompatibility...
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Solvent Impact on the Diversity of Products in the Reaction of Lithium Diphenylphosphide and a Ti(III) Complex Supported by a tBu2P–P(SiMe3) Ligand
PublicationWe present two important trends in the reactivity ofthe titanium complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}](MeNacNac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2Ph)with nucleophilic reagents RLi (R = Ph2P,tBuO, (Me3Si)2N, andtBu2N) depending on the reaction medium. Reaction in nonpolarsolvent (toluene) leads to three main products: via an autoredoxprocess and nucleophilic substitution at the Ti-atom to afford theTi(IV) complex [MeNacNacTi(R){η2-P-PtBu2}]...
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Release of selected chemical elements from shale drill cuttings to aqueous solutions of different pH
PublicationThe effect of pH changes on leachability of light and heavy metals from shale drill cuttings generated from unconventional shale gas production was investigated. Cuttings, being the primary byproduct generated from drilling operations, belong to the potentially hazardous type of wastes due to presence of heavy and radioactive elements and remains of drilling fluid. In this regard, assessment of potentially dangerous components...
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The effect of microemulsion composition on the morphology of Pd nanoparticles deposited at the surface of TiO2 and photoactivity of Pd-TiO2
PublicationA series of microemulsion (ME) system, constituted by different water to surfactant molar ratios (Wo) and oil to surfactant mass ratios (S), have been applied for Pd-TiO2 preparation. The effect of ME properties on the morphology of Pd nanoparticles formed at TiO2 surface and an effect of Pd size and distribution on the surface and photocatalytic properties of Pd-TiO2 were investigated. Microemulsion systems were characterized...
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublicationTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Enhanced boron doping of thin diamond films grown in deuterium-rich microwave plasma
PublicationThe boron-doped diamond thin films were growth in deuterium rich microwave plasma in CVD process. The mechanism of influence of plasma composition on boron doping level was studied using optical emission spectroscopy. Deuterium rich plasma results in an increased dissociation of B2H6 precursor and intense boron-radicals' production. In consequence, a higher doping level of diamond films was observed by means of Laser Induced Breakdown...
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Study of the atomic structure and morphology of the Pt3Co nanocatalyst
PublicationThe local structure and chemical disorder of a commercially available Pt3Co nanocatalyst supported on high surface area carbon were investigated. High-quality XAFS spectra were collected at the ELETTRA synchrotron XAFS 11.1 beamline. XAFS spectra analysis have been performed accounting for the reduction of the coordination number and degeneracy of three-body configurations, resulting from transmission electron microscopy (TEM)...
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Simple colorimetric copper(II) sensor – spectral characterization and possible applications
PublicationNew o-hydroxyazocompound L bearing pyrrole residue was obtained in the simple synthetic protocol. The structure of L was confirmed and analyzed by X-ray diffraction. It was found that new chemosensor can be successfully used as copper(II) selective spectrophotometric regent in solution and can be also applied for the preparation of sensing materials generating selective color signal upon interaction with copper(II). Selective colorimetric...
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The Influence of Titania Electrode Modification with Lanthanide Ions Containing Thin Layer on the Performance of Dye-Sensitized Solar Cells
PublicationThe lanthanide and scandium groups ions (except Pm and Ac) have been used as dopants of TiO2 film in dye-sensitized solar cells. The X-ray diffraction spectra show that the modification has no influence on the structure of the electrode; however, the diffuse reflectance UV-Vis measurements exhibit significant changes in the electronic properties of modified electrodes. The appearance of energy barrier preventing photoexcited electron...
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General route for the synthesis of terminal phosphanylphosphido complexes of Zr(IV) and Hf(IV): Structural investigations of the first zirconium complex with a phosphanylphosphido ligand
PublicationReactions of R2P-P(SiMe3)Li with [Cp2MCl2] (M = Zr, Hf) in hydrocarbons yield the related terminal phosphanylphosphidocomplexes [Cp2M(Cl){(Me3Si)P-PR2-jP1}] (R = iPr and tBu). The solid state structures of [Cp2M(Cl){P(SiMe3)-PiPr2-jP1}] (M = Zr, Hf) were established by single crystal X-ray diffraction studies. The phosphido-P atoms adopt almost planar geometries and the phosphanyl P atoms adopt pyramidal geometries. The reaction...
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The electronic characterization of the cubic Laves-phase superconductor CaRh2
PublicationWe present the synthesis and experimental characterization of the electronic properties of the cubic Laves phase superconductor CaRh2. Its crystal structure was confirmed by powder X-ray diffraction and its ambient temperature lattice parameter (a = 7.5326(6) Å) is in good agreement with the literature. Magnetization, resistivity and heat-capacity measurements indicate that CaRh2 is a moderate-coupling type-II superconductor (λe-p = 0.89)...
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Molecular geometry and optical activity of helically chiral N-nitrosamines derived from 1,2,3,4-tetrahydro- and 1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
PublicationX-ray crystallographic analysis of the title N-nitrosamines revealed that they assume helical conformations in the solid state. Nitrosamines 1b and 2b were resolved by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes 1b·3b and 2b·3b was assigned as M. The optical activity of the resolved compounds is manifested by their solid state CD spectra, which...
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Fabrication and Crystal Structure of Sol-Gel Deposited BST Thin Films with Compositional Gradient
PublicationIn the present research technology of compositionally graded barium strontium titanate Ba1-xSrxTiO3 thin films deposited on stainless steel substrates by sol-gel spin coating followed with thermal annealing at T = 650°C is reported. Results of thermal behavior of the sol-gel derived powders with compositions used for fabrication of graded structure (i.e. with Sr mole fraction x = 0.5, 0.4 and 0.3) are described. X-ray diffraction...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublicationSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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XRD investigations of the lithium titanate thin films
Open Research DataNanocrystalline thin films with 800 nm thickness were prepared by sol–gel method. To examine the influence of the annealing temperature on as-prepared films crystallization, the coatings were heated at temperature from 500 °C up to 600 °C for 20h. Structure of manufactured thin films was investigated using X-ray diffraction (XRD). The most visible...
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Exhaled breath gas sensing using pristine and functionalized WO3 nanowire sensors enhanced by UV-light irradiation
PublicationThe development of advanced metal-oxide-semiconductor sensing technologies for the detection of Volatile Organic Compounds (VOCs) present in exhaled breath is of great importance for non-invasive, cheap and fast medical diagnostics. Our experimental studies investigate the effects of operating temperature selection and UV-light irradiation on improving the response of WO3 nanowire sensors towards exhaled breath exposure. Herein,...
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The structure of lead-silicate glasses and nanocomposites doped with iron oxide
Open Research DataThe structure of iron-doped glasses and glass-ceramics were studied. Samples has the composition of 50SiO2–(50−x)PbO–xFe2O3, where x=15, 20 and 25 (in mol%). All samples were prepared by the conventional melt quenching technique; the melting was conducted in air at 1623 K in alumina crucibles. The melts were poured on a brass plate preheated to 573...
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Topography and microstructure of phosphate-iron glasses containing niobium and titanium
Open Research DataThe topography and microstructure of phosphate-iron glasses containing niobium and titanium were investigated by the means of X-ray diffraction (XRD), scanning electron microscopy (SEM). Glass samples of the composition of 35P2O5-30Fe2O3-(35-x)Nb2O5-xTiO2 where x= 0; 7.5 and 15 (in %mol) were prepared by the conventional melt quenching technique. Appropriate...
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Thermoplastic polyurethane/(organically modified montmorillonite) nanocomposites produced by in situ polymerization
PublicationA series of polyurethane nanocomposites were synthesized from thermoplastic polyurethanes (with different hard segment ratios) and two types of organically modified montmorillonites (OMMT) - Cloisite® 10A and Cloisite® 20A. The thermal behavior was examined by non-isothermal thermogravimetry (TG, DTG), Differential Scanning Calorimetry (DSC) and Dynamic-Mechanical Thermal Analysis (DMTA). The results of X-ray analyses showed that...
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Preparation of porous TiO2 films by means of pulsed laser deposition for photocatalytic applications
PublicationIn this work the preparation and structure properties of porous thin films of TiO2 were investigated. The films were produced by means of the pulsed laser deposition technique using laser pulses at 266nm (10Hz) and at fluencies of 1-3.5J/cm2. The process was performed in vacuum using O2 buffer gas and films were deposited on the SiO2 glass or Si substrate. X-ray diffraction (XRD) and Raman analysis of the structure and chemical...
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Evolution of Physical Properties of RE 3 Ni 5 Al 19 Family (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er)
PublicationSingle crystals of RE3Ni5Al19 series (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er) are grown using the Al self-flux method. The crystal structure is examined by both single crystal and powder X-ray diffraction. Physical properties are studied for the first time for RE3Ni5Al19 (RE = Y, Nd, Gd, Tb, Dy, Ho, and Er) by means of magnetic susceptibility, electrical resistivity, and heat capacity measurements. Complex magnetic behaviors, with...
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Interrelated shape memory and Payne effect in polyurethane/graphene oxide nanocomposites
PublicationWe report the fabrication of graphene oxide (GO) based polyurethane (PU) nanocomposites by a simple method of mixing and their shape memory properties at different temperatures. Both the polymer and the filler were synthesized in the laboratory by simple and easy methods – PU by pre-polymer method and GO by improved graphene oxide synthesis method. High molecular level dispersion of GO platelets within the PU matrix and thus good...
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Influence of dopants on structure of polycrystalline bismuth niobate
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. BiNbO4 ceramics was fabricated by mixed oxide method and sintered at temperature T<1000˚C. As the sintering aids a small amount of CuO oxide was used. The crystalline structure of the ceramic samples was examined by X-ray diffraction method at room temperature. The Rietveld refinement method was used for analysis...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Formation of polyphosphorus ligands mediated by zirconium and hafnium complexes
PublicationThe reactions of R2P–P(SiMe3)Li (R = tBu, iPr, iPr2N) with [Cp2MCl2] (M = Zr, Hf), [Cp∗CpZrCl2] and [CpZrCl3] yielded polyphosphorus (mainly hexaphosphorus) compounds which can be viewed as intermediates between R2P–P(SiMe3)Li and derivatives of 1,2,3,4-tetraphosphabicyclo[1.1.0] butane. Thus R2P–P(SiMe3)Li can act as a building block for the formation of the P2 ligand and the R2P–P(P2) and R2P–P(P2)P–PR2 moieties. Solid state...
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SIMULATIONS OF FRACTURE IN CONCRETE BEAMS UNDER BENDING USING A CONTINUUM AND DISCRETE APPROACH
PublicationThe paper describes two-dimensional meso-scale results of fracture in notched concrete beams under bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones and air voids. Within continuum mechanics, the simulations were carried out with the finite element method based on a isotropic damage constitutive model enhanced by a characteristic...
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XRD patterns of the V2O5 nanorods after thermal treatment under reducing atmosphere
Open Research DataThe DataSet contains the XRD patterns of V2O5 nanorods after thermal treatment under a reducing atmosphere. Samples were annealed at 450C for 2, 20, and 40h under a reducing atmosphere (94% Ar, 6% H2).
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Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands
PublicationA series of new metal heteroleptic complexes have been obtained in simple reactions of 1-(3-aminopropyl)-imidazole (api) and 1,4-bis(imidazol-1-yl)-butane (bbi) ligands with metal silanethiolates or acetylacetonates. The obtained complexes are the coordination polymers [Ni{SSi(tBuO)3}2(μ-api)]n1, [Co{SSi(tBuO)3}2(μ-api)]n2, [Cd{SSi(tBuO)3}2(μ-api)·2CH3OH]n3, [Cd{SSi(tBuO)3}2(μ-bbi)·CHCl3]n4 and the dimer [Co{SSi(tBuO)3}2(μ-bbi)·3CH3OH]25....
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Synthesis and properties of AxV2Al20 (A = Th, U, Np, Pu) ternary actinide aluminides
PublicationPolycrystalline samples of AxV2Al20 (A = Ce, Th, U, Np, Pu; 0.7 ≤ x ≤ 1.0) actinide intermetallics were synthesized using the arc-melting method. Crystal structure studies were performed by means of powder x-ray diffraction and the Rietveld refinement method. All studied compounds crystallize in the CeCr2Al20-type structure (space group Fd-3m, no. 227) with the actinoid and Ce atom located in the oversized icosahedral cage formed...
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XRD patterns of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the XRD patterns of ammonium vanadate nanobelts obtained by the hydrothermal method with different conditions. The results show that the structure and phase compositions of samples dependent on reaction conditions.
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XRD patterns of VO2 and V6O13 nanostructures
Open Research DataThe DataSet contains the XRD patterns of VO2 and V6O13 thin films deposited on a silicon substrate. The as-prepared thin films were annealing under a reducing atmosphere (94% Ar, 6% H2) at 500, 600 and 700C for 10h.
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XRD patterns of V2O5 thin film morphology dependent on substrate types
Open Research DataThe DataSet contains the XRD patterns of the V2O5 thin film structure dependent on substrate types. The as-prepared thin films were deposited on alumina, zirconium, zirconium oxide and metallic vanadium substrate, then was annealing under an oxidizing atmosphere at 600C for 10h.
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XRD patterns of V2O5 nanostructures
Open Research DataThe DataSet contains the XRD patterns of vanadium pentaoxide nanostructures obtained by the sol-gel with different annealing temperatures under synthetic air. The results show that crystallinity dependent on the annealing temperature.
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XRD patterns of VO2 and V2O3 nanostructures
Open Research DataThe DataSet contains the XRD patterns of VO2 and V2O3 nanostructures obtained by the sol-gel with different reaction conditions. The information about xerogel powder synthesis is described in the Journal of Nanomaterials. The xerogel powder was annealing under argon atmosphere in the temperature range 400-1000C. The results show that the morphology...
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XRD patterns of vanadium oxide nanostructures on silicon substrate obtained by V2O5 recrystallization
Open Research DataThe DataSet contains the XRD patterns of vanadium oxide nanostructures on silicon substrates obtained by recrystallization of V2O5 thin films between 800-1200°C under synthetic air. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials.
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XRD patterns of VO2 and V2O3 thin films obtained at 500°C
Open Research DataThe DataSet contains the XRD patterns of VO2 and V2O3 thin films obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films with different thicknesses (3-9 AsP layers) were deposited on a silicon substrate and were annealing at 500°C under an argon atmosphere.
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XRD patterns of vanadium oxide nanostructures on quartz glass substrate obtained by V2O5 recrystallization
Open Research DataThe DataSet contains the XRD patterns of vanadium oxide nanostructures on quartz glass substrates obtained by recrystallization of V2O5 thin films between 800-1200°C under synthetic air. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials.
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Chemical composition of V2O5 nanorods
Open Research DataThe DataSet contains the chemical compositions of the V2O5 nanorods on a silicon substrate. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The As-prepared thin films were annealed at 600C under a synthetic air atmosphere.
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XRD patterns of VO2 and V2O3 thin films obtained at 700°C
Open Research DataThe DataSet contains the XRD patterns of VO2 and V2O3 thin films obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films with different thicknesses (5-9 AsP layers) were deposited on a silicon substrate and were annealing at 700°C under an argon atmosphere.
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Properties of surface layers of duplex stainless steel after burnishing processes
PublicationStress corrosion cracking resistance of cold worked layers of 25 Cr duplex stainless steel grade UR52N+ has been investigated. The surface layers were performed through burnishing treatment. The residual stresses at surface layers were determined using grazing angle incidence X-ray diffraction method (g-sin2 Ψ). Corrosion tests were performed with the use of Slow Strain Rate Test technique in boiling 35% MgCl2 solution. It has...
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Structure of partially reduced xPbO (1-x)SiO2 glasses: combined EXAFS and MD study
PublicationWykorzystując połączenie metody EXAFS (extended X-ray absorption finestructure) i symulacji MD (molecular dynamics) zbadano strukturęczęściowo zredukowanych szkieł ołowiowo-krzemianowych o różnejstechiometrii wyjściowej. W wyniku analizy uzyskano szczegółowyopis struktury lokalnej wokół atomów ołowiu i jej zmiany w funkcjiskładu szkła i poziomu redukcji. Określono również jaką tendencjędo aglomeracji w metaliczne klastry wykazują...
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Prosthetic Elements Made of the Ti-13Zr-13Nb Alloy by Selective Laser Melting
PublicationThe fabrication of the prosthetic foundations and bridges from the Ti-13Zr-13Nb alloy is described. The process was started from CAD/CAM design of 3D models of the foundations based on scanning of patient`s mouth. Next, 3D models were transformed into *.stl files for the manufacturing stage and then the manufacturing process by means of the selective laser melting with the SLM Realizer 100 equipment was made. The intrinsic structure...
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Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound
PublicationSingle crystals of a new ternary aluminide ErV2Al20 were grown using a self-flux method. The crystal structure was determined by powder X-ray diffraction measurements and Rietveld refinement, and physical properties were studied by means of electrical resistivity, magnetic susceptibility and specific heat measurements. These measurements reveal that ErV2Al20 is a Curie-Weiss paramagnet down to 1.95 K with an effective magnetic...