Escuela Infantil Les Xanes

Resumen basado en el de la publicaci??n

La escuela infantil 'Les Xanes'

Resumen basado en la publicaci??n

De 0 a 3 a??os Les Xanes de Mieres : el Proyecto Biblioteca Escolar y la participaci??n de las familias en la Escuela Infantil

Se exponen las caracter??sticas y los objetivos de la implantaci??n del Proyecto de Biblioteca 'Les Xanes tienen mucho cuento' en la Escuela Infantil Les Xanes de Mieres. En ??l participan, adem??s del equipo docente, las familias del alumnado, que de forma activa est??n presentes unas veces como colaboradoras y otras como destinatarias de las acciones programadas en el Proyecto de Biblioteca.

Structural XANES characterization of Ca0.99Sm0.01TiO3 perovskite and correlation with photoluminescence emission

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

Study of K beta X-ray emission spectroscopy applied to Mn((2-x))V((1+x))O4 (x=0 and 1/3) oxyspinel and comparison with XANES

Oxidation state and coordination of transition metal cations seems to be hard to assess when considering multiple cations, each one with different possible oxidation states. In fact, this is the case of the spineltype double oxides family. High resolution K beta X-ray fluorescence spectra were measured in Mn(2-x)V(1+4)O4 (x=0 and 1/3) spinels-type double oxides in order to determine the oxidation state and coordination of V and Mn cations. The relative intensity of radiative Auger effect KM2,3M4,5 to the total intensity and the integral absolute difference value were used as reference parameters for the characterization of Mn oxidation states. The coordination of Mn ions was inferred by the intensity of the K beta(5) line. In the case of V compounds, it was used as the intensity of the line K beta' relative to the total area of K beta region. The obtained results were further compared with X-ray absorption spectra analysis, showing good agreements regarding the oxidation state characterization. However, there were found some discrepancies in coordination, due to customary oversimplifications in the K beta(5) line origin. The obtained results might represent valuable and useful data for chemical scopes of characterizing spineltype oxides family. (C) 2013 Elsevier Ltd. All rights reserved.

Structural XANES characterization of Ca0.99Sm0.01TiO3 perovskite and correlation with photoluminescence emission

In this work, CaTiO3:Sm (CT:Sm) were prepared by a soft chemical processing at different annealing temperatures starting with a disordered structure and reaching an ordered one, with the propose to understand the relationship between structural order-disorder and photoluminescence emission. The samples were characterized by titanium K-edge, Titanium L-II and L-III-edge XANES, electron paramagnetic resonance (EPR) and photoluminescence (PL) measurements. XANES results clearly point the presence of local distortion in [TiO6] octahedral clusters until the crystallization was completed. The interactions of the network clusters that form the CT:Sm structures provides favorable structural and electronic conditions for the appearance of PL phenomena. (C) 2012 Published by Elsevier B.V.

In-situ XANES experiments on Ni K-edge in mesoporous ZrO2-CeO2:Ni.

Ordered mesoporous ZrO2-CeO2 mixed oxides are potential candidates for catalytic applications. These systems, used as anodes in solid oxide fuel cells (SOFC), may lead to better performance of SOFCs, due to an enhancement on surface area, aiming to achieve a lower working temperature. The aim of this studies is to evaluate the reduction capacity of Ni2+ to Ni in ZrO2-x(mol)%CeO2 (x=50 and 90) samples impregnated with 60(wt.)%NiO. The synthesis was made with Zr and Ce chloride precursors, HCl aqueous solution, Pluronic P123, NH4OH to adjust the pH (3-4) and a teflon autoclave to perform a hydrothermal treatment (80oC/48h). The samples were dried and calcined, until 540oC in N2 and 4 hours in air. The NiO impregnation was made with an ethanol dispersion of Ni(NO3)£6H2O. The powder was calcinated in air until 350oC for 2 hours. Temperature-resolved XANES data at the Ni K-edge were collected at the DXAS beam line of the LNLS in transmission mode, using a Si(111) monochromator and a CCD detector. Sample preparation consisted of mixing »6mg of the powder samples with boron nitride and pressing into pellets. The data were acquired during an experiment of temperature programmed reduction (TPR) under a 5% H2/He until 600oC and mixtures of 20%CH4:5%O2/He, at temperatures from 400 to 600oC. All the reactions were monitored with a mass spectrometer. The data was analyzed with a linear combination fit of 2 standards for each valence number using Athena software. The Ni K-edge experiments demonstrated that for both contents of CeO2, NiO embedded in the porous zirconia-ceria matrix reduces at lower temperatures than pure NiO, revealing that the ZrO2-CeO2 support improves the reduction of impregnated NiO. Ni was oxidized to NiO after all reactions with methane and oxygen. Hydrogenated carbonaceous species were detected, but under reducing conditions, the hydrocarbon compounds are removed. The reaction of total oxidation of methane CH4:O2 (1:2 ratio) was observed at lower temperatures (around 400oC) for both samples.

Ab-initio determination of x-ray absorption near edge structure (xanes) spectra in an ultrasoft and norm conserving pseudopotentials scheme

X-ray absorption spectroscopy (XAS) is a powerful means of investigation of structural and electronic properties in condensed -matter physics. Analysis of the near edge part of the XAS spectrum, the so – called X-ray Absorption Near Edge Structure (XANES), can typically provide the following information on the photoexcited atom: - Oxidation state and coordination environment. - Speciation of transition metal compounds. - Conduction band DOS projected on the excited atomic species (PDOS). Analysis of XANES spectra is greatly aided by simulations; in the most common scheme the multiple scattering framework is used with the muffin tin approximation for the scattering potential and the spectral simulation is based on a hypothetical, reference structure. This approach has the advantage of requiring relatively little computing power but in many cases the assumed structure is quite different from the actual system measured and the muffin tin approximation is not adequate for low symmetry structures or highly directional bonds. It is therefore very interesting and justified to develop alternative methods. In one approach, the spectral simulation is based on atomic coordinates obtained from a DFT (Density Functional Theory) optimized structure. In another approach, which is the object of this thesis, the XANES spectrum is calculated directly based on an ab – initio DFT calculation of the atomic and electronic structure. This method takes full advantage of the real many-electron final wavefunction that can be computed with DFT algorithms that include a core-hole in the absorbing atom to compute the final cross section. To calculate the many-electron final wavefunction the Projector Augmented Wave method (PAW) is used. In this scheme, the absorption cross section is written in function of several contributions as the many-electrons function of the finale state; it is calculated starting from pseudo-wavefunction and performing a reconstruction of the real-wavefunction by using a transform operator which contains some parameters, called partial waves and projector waves. The aim of my thesis is to apply and test the PAW methodology to the calculation of the XANES cross section. I have focused on iron and silicon structures and on some biological molecules target (myoglobin and cytochrome c). Finally other inorganic and biological systems could be taken into account for future applications of this methodology, which could become an important improvement with respect to the multiscattering approach.

Ce(III) and Ce(IV) (re)distribution and fractionation in a laterite profile from Madagascar: Insights from in situ XANES spectroscopy at the Ce LIII-edge

The distribution of trivalent and tetravalent cerium, Ce(III) and Ce(IV) respectively, in a lateritic profile from Madagascar, has been characterized by X-ray-absorption near-edge structure (XANES) spectroscopy at the Ce LIII-edge on the LUCIA beamline (SOLEIL synchrotron, France). XANES spectra were acquired on bulk-rock samples as well as on specific lateritic minerals or polymineral zones (in-situ measurements) of the tonalite bedrock and the three overlying weathered horizons (C-, B- and A-horizons). Geochemically, the bedrock, and the A- and C-horizons show similar rare earth element content (REE = 363–405 mg/kg). They also display the same positive Ce-anomaly (CeCN/Ce∗ = 1.12–1.45), which is therefore likely to be inherited from the bedrock. In the B-horizon, the higher REE content (REE = 2194 mg/kg) and the larger Ce-anomaly (CeCN/Ce∗ = 4.26) are consistent with an accumulation zone caused by the evaporation of groundwater during the dry season. There is a good agreement between the Ce(III)/Cetotal ratio (XCe(III)) deduced from the positive Ce-anomaly (bulk-rock geochemical data) and that derived from XANES spectroscopy on the same bulk-rock samples (BR-XCe(III)-XANES) in the bedrock, and the C- and B-horizons. In the A-horizon, XANES measurements on bulk rock and minerals revealed a higher BR-XCe(III)-XANES (up to 100%) compared to the XCe(III) deduced from geochemical data (XCe(III) = 79%). The preservation of a positive Ce-anomaly in the A-horizon suggests that the Ce mobilization and redistribution during weathering occurred with no significant Ce fractionation from other trivalent REE. Remarkably, the only investigated sample where cerianite is observed belongs to the B-horizon. Within this horizon, Ce oxidation state varies depending on the microstructural position (porosity, cracks, clay-rich groundmass). The highest Ce(IV) concentrations are measured in cerianite (and aluminophosphates) localized in pores at the vicinity of Mn-rich domains (XCe(III)-XANES = 30–51%). Therefore, Ce fractionation from other REE is attributed to a Ce oxidation and precipitation potentially assisted by oxyhydroxide scavenging. In the C-horizon, Ce(III) and Ce(IV) are mainly distributed in REE-minerals of the rhabdophane group found in pores and cracks. The similarity between the Ce(III) proportion of rhabdophane grains (XCe(III)-XANES = 74–89%) with that of the bedrock (BR-XCe(III)-XANES = 79%) suggests no significant fractionation of Ce(III) and Ce(IV) between solution and mineral during the successive stages of primary REE-mineral alteration, transport in solution and secondary precipitation in the incipient stages of weathering. Overall, our novel spectroscopic approach shows that Ce is not necessarily oxidized nor fractionated from other REE during weathering in lateritic conditions. This implies that like Ce(III), Ce(IV) can be mobilized in aqueous fluids during weathering, possibly thanks to complexation with organic molecules, and can precipitate together with Ce(III) in secondary REE-bearing minerals. The corollary is that (paleo)redox reconstructions in soils and/or sediments based on Ce-anomaly in weathered rocks or minerals must be interpreted with caution.

Redox-controlled crotyl alcohol selective oxidation:in situ oxidation and reduction dynamics of catalytic Pd nanoparticles via synchronous XANES/MS

In-situ, synchronous MS/XANES reveals the Pd catalyzed selective aerobic oxidation of crotyl alcohol is regulated by the balance between the oxidation state and reducibility. Dynamic XANES measurements provide a new, rapid method to determine redox kinetics of nanoparticles and identify important parameters to optimize catalyst design. © 2012 American Chemical Society.

Spectroscopic characterization of schiff base-copper complexes immobilized in smectite clays

Herein, the immobilization of some Schiff base-copper(II) complexes in smectite clays is described as a strategy for the heterogenization of homogeneous catalysts. The obtained materials were characterized by spectroscopic techniques, mostly UV/Vis, EPR, XANES and luminescence spectroscopy. SWy-2 and synthetic Laponite clays were used for the immobilization of two different complexes that have previously shown catalytic activity in the dismutation of superoxide radicals, and disproportionation of hydrogen peroxide. The obtained results indicated the occurrence of an intriguing intramolecular redox process involving copper and the imine ligand at the surface of the clays. These studies are supported by computational calculations.

Short-range structure of Pb(1-x)Ba(x)Zr(0.65)Ti(0.35)O(3) ceramic compounds probed by XAS and Raman scattering techniques

Ti K-edge x-ray absorption near-edge spectroscopy (XANES) and Raman scattering were used to study the solid solution effects on the structural and vibrational properties of Pb(1-x)Ba(x)Zr(0.65)Ti(0.35)O(3) with 0.0 < x < 0.40. Compared with x-ray diffraction techniques, which indicates that the average crystal symmetry changes with the substitution of Pb by Ba ions or with temperature variations for samples with x=0.00, 0.10, and 0.20, local structural probes such as XANES and Raman scattering results demonstrate that at local level, the symmetry changes are much less prominent. Theoretical XANES spectra calculation corroborate with the interpretation of the XANES experimental data.

Improved effective charge density in MOS capacitors with PECVD SiOxNy dielectric layer obtained at low RF power

In this work SiOxNy films are produced and characterized. Series of samples were deposited by the plasma enhanced chemical vapor deposition (PECVD) technique at low temperatures from silane (SiH4), nitrous oxide (N2O) and helium (He) precursor gaseous mixtures, at different deposition power in order to analyze the effect of this parameter on the films structural properties, on the SiOxNy/Si interface quality and on the SiOxNy effective charge density. In order to compare the film structural properties with the interface (SiOxNy/Si) quality and effective charge density, MOS capacitors were fabricated using these films as dielectric layer. X-ray absorption near-edge spectroscopy (XANES), at the Si-K edge, was utilized to investigate the structure of the films and the material bonding characteristics were analyzed through Fourier transform infrared spectroscopy (FTIR). The MOS capacitors were characterized by low and high frequency capacitance (C-V) measurements, in order to obtain the interface state density (D-it) and the effective charge density (N-ss). An effective charge density linear reduction for decreasing deposition power was observed, result that is attributed to the smaller amount of ions present in the plasma for low RF power. (C) 2008 Elsevier B.V. All rights reserved.