18 resultados para OXYGEN VACANCY

em Repositório Institucional UNESP - Universidade Estadual Paulista "Julio de Mesquita Filho"


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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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We theoretically investigated how the formation of oxygen vacancies and the addition of niobium and chromium atoms as dopants modify the varistor properties of TiO2. The calculations were carried out at the HF level using a contracted basis set, developed by Huzinaga et al.. to represent the atomic centers on the (110) surface for the large (TiO2)(15) cluster model. The change of the values for the net atomic charges and band gap after oxygen vacancy formation and the presence of dopants in the lattice are analyzed and discussed. It is shown that the formation of oxygen vacancies decreases the band gap while an opposite effect is found when dopants are located in the reduced surface. The theoretical results are compared with available experimental data. A plausible explanation of the varistor behavior of this system is proposed. (C) 1997 John Wiley & Sons, Inc.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The effect of the sintering method on the microstructural and electrical properties of (Pb(0.89)Nd(0.02)La(0.09))(Zr(0.65)Ti(0.35))O(3) (PNLZT) ceramics was studied by impedance spectroscopy. Structural and microstructural analyses were performed using x-ray and scanning electron microscopy techniques. Two different sintering routes were employed: the conventional and the hot-pressing sintering methods. The impedance analysis provided a convincing evidence for the existence of both grain (g) and grain boundary (gb) contributions to the conduction process. An equivalent circuit for the impedance behaviour has been proposed and discussed. The variation in the sintering method produces significant changes in the grain and grain boundary conductivities. For the grain effect, the main conduction mechanism has been associated with oxygen vacancy migration. Otherwise, for grain boundary conductivity the impedance behaviour has been discussed in terms of the brick-layer and the constriction resistance models (BLM and CRM, respectively).

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Polycrystalline Ba0.5Sr0.5(Ti0.80Sn0.20)O-3 (BST:Sn) thin films with a perovskite structure were prepared by the soft chemical method on a platinum-coated silicon substrate from spin-coating technique. The resulting thin films showed a dense structure with uniform grain size distribution. The dielectric constant of the films estimated from C-V curve is around 1134 and can be ascribed to a reduction in the oxygen vacancy concentration. The ferroelectric nature of the film indicated by butterfly-shaped C-V curves and confirmed by the hysteresis curve, showed remnant polarization of 14 mu C/cm(2) and coercive field of 74 kV/cm at frequency of 1 MHz. At the same frequency, the leakage current density at 1.0 V is equal to 1.5 x 10(-7) A/cm(2). This work clearly reveals the highly promising potential of BST:Sn for application in memory devices. (c) 2006 Elsevier B.V. All rights reserved.

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The nature of defects in polycrystalline Bi4-xLaxTi3O12 (BLT) thin films with x=0.00, 0.25, 0.50, and 0.75 was evaluated by x-ray photoemission spectroscopy measurements. The influence of oxygen vacancies and substitution of Bi for La atoms were discussed. In the BLT thin films, it was found that the oxygen ions at the metal-oxygen octahedral were much more stable than those at the [Bi2O2] layers. on the other hand, for Bi4Ti3O12 (BIT) thin film, oxygen vacancies could be induced both at the titanium-oxygen octahedral and at the [Bi2O2] layers. The oxygen-vacancy defect pairs determined in BIT and Bi3.75La0.25Ti3O12 (BLT025) can pin the polarization of surrounding lattices leading to fatigue of capacitors. Meanwhile, the concentration of similar defect pairs is relatively low in heavily doped BIT films and then good fatigue resistance is observed.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Tin oxide is an n-type semiconductor material with a high covalent behavior. Mass transport in this oxide depends on the surface state promoted by atmosphere or by the solid solution of a non-isovalent oxide doping The sintering and grain growth of this type of oxide powder is then controlled by atmosphere and by extrinsic oxygen vacancy formation. For pure SnO2 powder the surface state depends only on the interaction of atmosphere molecules with the SnO2 surface. Inert atmosphere like argon or helium promotes oxygen vacancy formation at the surface due to reduction of SnO2 to SnO at the surface and liberation of oxygen molecules forming oxygen vacancies. As consequence surface diffusion is enhanced leading to grain coarsening but no densification. Oxygen atmosphere inhibits the SnO2 reduction decreasing the surface oxygen vacancy concentration. Addition of dopants with lower valence at sintering temperature creates extrinsic charged oxygen vacancies that promote mass transport at grain boundary leading to densification and grain growth of this polycrystalline oxide.

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Thin films of undoped and Sb-doped (2 atg%) SnO2 have been prepared by sol-gel dip-coating technique on borosilicate glasses. Variation of photoconductivity excitation with wavelength and optical absorption indicate indirect bandgap transition with energy of ≅ 3.5 eV. Conductance as function of temperature indicates two levels of capture with 39 and 81 meV as activation energies, which may be related to an Sb donor and oxygen vacancy respectively. Electron trapping by these levels are practically destroyed by UV photoexcitation (305 nm) and heating in vacuum to 200°C. Gas analysis using a mass spectrometer indicates an oxygen related level, which may not be desorbed in the simpler O2 form.

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Tin oxide is an n type semiconductor material with a high covalent behavior. Mass transport in this oxide depends on the surface state promoted by atmosphere or by the solid solution of aliovalent oxide doping. The sintering and grain growth of this type of oxide powder is then controlled by atmosphere and by extrinsic oxygen vacancy formation. For pure SnO2 powder the surface state depends only on the interaction of atmosphere molecules with the SnO2 surface. Inert atmosphere like argon or helium promotes oxygen vacancy formation at the surface due to reduction of SnO2 to SnO at the surface and liberation of oxygen molecules forming oxygen vacancies. As a consequence surface diffusion is enhanced leading to grain coarsening but no densification. Oxygen atmosphere inhibits SnO2 reduction by decreasing the surface oxygen vacancy concentration. Addition of dopants with lower valence at the sintering temperature creates extrinsic charged oxygen vacancies that promote mass transport at the grain boundary leading to densification and grain growth of this polycrystalline oxide.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)