916 resultados para F-doped SnO2
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Doping tin dioxide (SnO2) with pentavalent Sb5+ ions leads to an enhancement in the electrical conductivity of this material, because Sb5+ substitutes Sn4+ in the matrix, promoting an electronic density increase in the conduction band, due to the donor-like nature of the doping atom. Results of computational simulation, based on the Density Functional Theory (DFT), of SnO2:4%Sb and SnO2:8%Sb show that the bandgap magnitude is strongly affected by the doping concentration, because the energy value found for 4 at%Sb and 8 at%Sb was 3.27 eV and 3.13 eV, respectively, whereas the well known value for undoped SnO2 is about 3.6 eV. Sb-doped SnO2 thin films were obtained by the sol-gel-dip-coating technique. The samples were submitted to excitation with below theoretical bandgap light (450 nm), as well as above bandgap light (266 nm) at low temperature, and a temperature-dependent increase in the conductivity is observed. Besides, an unusual temperature and time dependent decay when the illumination is removed is also observed, where the decay time is slower for higher temperatures. This decay is modeled by considering thermally activated cross section of trapping centers, and the hypothesis of grain boundary scattering as the dominant mechanism for electronic mobility. © 2012 Elsevier B.V. All rights reserved.
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SnO2:2 at. %Er xerogel samples were obtained by sol-gel technique from colloidal suspensions with distinct pHs. The evaluation of critical regions inside the nanocrystallite is fundamental for the interpretation of the influence of pH on the emission data. In this way, the nanocrystal depletion layer thickness was obtained with the help of photoluminescence, Raman, X-ray diffraction, and field-emission gun scanning electron microscopy measurements. It was observed that acid suspensions (pH < 7) lead to high surface disorder in which a larger number of cross-linked bonds Sn-O-Sn among nanoparticles are present. For these samples, the nanoparticle depletion layer is larger as compared to samples obtained from other pH. Photoluminescence measurement in the near infrared region indicates that the emission intensity of the transition 4I13/2 → 4I15/2 is also influenced by the pH of the starting colloidal suspension, generating peaks more or less broadened, depending on location of Er3+ ions in the SnO2 lattice (high or low symmetry sites). © 2013 AIP Publishing LLC.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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We have used the periodic quantum-mechanical method with density functional theory at the B3LYP hybrid functional level in order to study the doping of SnO2 with pentavalent Sb5+. The 72-atom 2x3x2 supercell SnO2 (Sn24O48) was employed in the calculations. For the SnO2:4%Sb , one atom of Sn was replaced by one Sb atom. For the SnO2:8%Sb, two atoms of Sn were replaced by two Sb atoms. The Sb doping leads to an enhancement in the electrical conductivity of this material, because these ions substitute Sn4+ in the SnO2 matrix, leading to an electronic density rise in the conduction band, due to the donor-like behavior of the doping atom. This result shows that the bandgap magnitude depends on the doping concentration, because the energy value found for SnO2:4%Sb was 2.8eV whereas for SnO2:8%Sb it was 2.7eV. It was also verified that the difference between the Fermi level and the bottom of the conduction band is directly related to the doping concentration. - See more at: http://www.eurekaselect.com/117255/article#sthash.Z5ezhCQD.dpuf
Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys
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Transition-metal (TM)-doped diluted magnetic oxides (DMOs) have attracted attention from both experimental and theoretical points of view due to their potential use in spintronics towards new nanostructured devices and new technologies. In the present work, we study the magnetic properties of Sn0.96TM0.04O2 and Sn0.96TM0.04O1.98(V (O))(0.02), where TM = Fe and Co, focusing in particular in the role played by the presence of O vacancies nearby the TM. The calculated total energy as a function of the total magnetic moment per cell shows a magnetic metastability, corresponding to a ground state, respectively, with 2 and 1 mu(B)/cell, for Fe and Co. Two metastable states, with 0 and 4 mu(B)/cell were found for Fe, and a single value, 3 mu(B)/cell, for Co. The spin-crossover energies (E (S)) were calculated. The values are E (S) (0/2) = 107 meV and E (S) (4/2) = 25 meV for Fe. For Co, E (S) (3/1) = 36 meV. By creating O vacancies close to the TM site, we show that the metastablity and E (S) change. For iron, a new state appears, and the state with zero magnetic moment disappears. The ground state is 4 mu(B)/cell instead of 2 mu(B)/cell, and the energy E (S) (2/4) is 30 meV. For cobalt, the ground state is then found with 3 mu(B)/cell and the metastable state with 1 mu(B)/cell. The spin-crossover energy E (S) (1/3) is 21 meV. Our results suggest that these materials may be used in devices for spintronic applications that require different magnetization states.
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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The present work studied the influence of thermal treatment in oxygen rich atmosphere on heterogenous junctions in Mn-doped SnO2 polycrystalline system presenting varistor behavior. The samples were prepared by conventional oxide mixture methodology, and were submitted to heat treatment in oxygen rich atmosphere at 900 degrees C for 2h. The samples were characterized by X-ray diffraction, scanning electron microscopy, dc and ac electrical measurements. The results showed that there is an evident relationship between the microstructure heterogeneity and non-ohmic electrical properties. It was found that for this SnO2 center dot MnO-based varistor system the heat treatment in oxygen rich atmosphere does not necessarily increase the varistors properties, which was related to the decrease in the grain boundary resistance. The results are compared with Co-doped SnO2 varistors and ZnO based varistors. (C) 2008 WILEY-VCH Verlay GmbH & Co. KGaA, Weinheim.
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The influence of La2O3, Pr2O3 and CeO2 on a new class of polycrystalline ceramics with nonlinear properties based on SnO2, was investigated. La2O3 and Pr2O3 were found to precipitate at the grain boundary region, causing a considerable increase in the nonlinear behavior. It was found that CeO2 forms a solid solution in the bulk but. unlike La2O3 and Pr2O3, it does not increase the nonlinear behavior. A higher nonlinear coefficient of similar to80 was obtained for La2O3-doped SnO2-based systems. (C) 2002 Elsevier B.V. B.V. All rights reserved.
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Fractal dimensions of grain boundary region in doped SnO2 ceramics were determined based on previously derived fractal model. This model considers fractal dimension as a measure of homogeneity of distribution of charge carriers. Application of the derived fractal model enables calculation of fractal dimension using results of impedance spectroscopy. The model was verified by experimentally determined temperature dependence of the fractal dimension of SnO2 ceramics. Obtained results confirm that the non-Debye response of the grain boundary region is connected with distribution of defects and consequently with a homogeneity of a distribution of the charge carriers. Also, it was found that C-T-1 function has maximum at temperature at which the change in dominant type of defects takes place. This effect could be considered as a third-order transition.
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The controlled growth of SnO2 nanoparticles for gas sensor applications is reported by these authors. Nb2O5 additive is used to control nucleation and growth of the SnO2 (see Figure), which is synthesized by the polymeric precursor method. Preliminary gas sensing measurements are performed and it is demonstrated that the response time of the Nb2O5-doped SnO2 is faster than that of the undoped material.
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Structural morphological studies in pure and Ce-doped tin dioxide nanoparticles with high stability against particle growth were performed in samples, obtained using the polymeric precursor method and prepared at different annealing temperatures. A Ce-rich surface layer was used to control the particle size and stabilize SnO2 against particle growth. The formation of this segregated layer can contribute to a decreased surface energy, acting in the driving force, or reducing the surface mobility. Only the cassiterite SnO2 phase was observed below 1000 degreesC and a secondary phase (CeO2) was observed for the Ce-doped SnO2 at temperatures higher than 1000 degreesC, when de-mixing process occurs. The evolution of crystallite size, microstrain and morphology of the nanoparticles with annealing temperatures was investigated by X-ray diffraction (XRD), associated to Rietveld refinements, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). (C) 2002 Elsevier B.V. Ltd. All rights reserved.
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The evolution of Eu3+ doped SnO2 xerogels to the cassiterite structure observed during sintering was studied by means of Eu3+ spectroscopy, XRD and EXAFS at the Sn K-edge. Eu3+ ions adsorbed at the surface of colloidal particles present a broad distribution of sites, typical of oxide glasses. With sintering at 300°C, this distribution is still broadened. Crystallization is clearly observed by the three techniques with increasing sintering temperature. It is found that the addition of Eu3+ limits the crystallite growth.
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Starting from aqueous colloidal suspensions, undoped and Nb5+ doped SnO2 thin films have been prepared by using the dip-coating sol gel process. X-ray diffraction results show that films are polycrystalline with crystallites of average size1-4nm. Decreasing the thickness of the films and increasing the Nb5+ concentration limits the crystallite size growth during firing. Complex impedance measurements reveal capacitive and resistive effects between adjacent crystallites or grains, characteristic of electrical potential barriers. The transfer of charge throughout these barriers determines the macroscopic electrical resistance of the layer. The analysis of the optical absorption spectra shows that the samples present more than 80% of their transmittance in the visible region and the value of the band gap energy increases with decreasing crystallite size. © 1997 Chapman & Hall.
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The non-linear electrical properties of CoO-doped and Nb205-doped SnO2 ceramics were characterized. X-ray diffraction and scanning electron microscopy indicated that the system is single phase. The electrical conduction mechanism for low applied electrical field was associated with thermionic emission of the Schottky type. An atomic defect model based on the Schottky double-barrier formation was proposed to explain the origin of the potential barrier at the ceramic grain boundaries. These defects create depletion layers at grain boundaries, favouring electron tunnelling at high values of applied electrical field. © 1998 Chapman & Hall.