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Wyniki wyszukiwania dla: OXYGEN VACANCY
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublikacjaThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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Oxygen vacancy-enriched V2O5·nH2O nanofibers ink for universal substrates-tolerant and multi means-integratable NH3 sensing
PublikacjaUniversal substrates-tolerant and multi means-integratable ammonia (NH3) sensing is highly desired in future Internet of Things in environmental monitoring, food security and early diagnosis of human diseases, however, is still less than satisfactory. Here, an oxygen vacancy-governed NH3 sensing has been developed with V2O5·nH2O nanofibers (NFs) ink, via combined thermal decomposition of ammonium metavanadate and dilution. As-obtained...
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Two kinds of oxygen vacancies in lithium titaniate doped with copper as detected by EPR
PublikacjaLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure and morphology are characterized by X-ray Diffraction (XRD), X-ray Photoemission Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). Spin Hamiltonian parameters describing Zeeman and hyperfine interaction for 63Cu2+ ions were obtained from EPR spectra simulations. The spectra...
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublikacjaThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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Structural and electrical properties of titanium-doped yttrium niobate
PublikacjaIn this work, the influence of the substitution of niobium by titanium in Y3Nb1-xTixO7-δ on the structural and electrical properties is reported. Several experimental techniques, i.e. X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), X-Ray Photoelectron Spectroscopy (XPS) and Electrochemical Impedance Spectroscopy (EIS), were applied to investigate the system Y3Nb1-xTixO7-δ. Titanium in Y3Nb1-xTixO7-δ is an acceptor-type...
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Signature of Oxide-Ion Conduction in Alkaline-Earth-Metal-Doped Y3GaO6
PublikacjaWe have studied alkaline-earth-metal-doped Y3GaO6 as a new family of oxide-ion conductor. Solid solutions of Y3GaO6 and 2% −Ca2+-, −Sr2+-, and −Ba2+-doped Y3GaO6, i.e., Y(3−0.06)M0.06GaO6−δ (M = Ca2+, Sr2+, and Ba2+), were prepared via a conventional solid-state reaction route. X-ray Rietveld refined diffractograms of all the compositions showed the formation of an orthorhombic structure having the Cmc21 space group. Scanning electron...