Local electronic structure, optical bandgap and photoluminescence (PL) properties of Ba(Zr0.75Ti0.25)O3 powders

Ba(Zr0.75Ti0.25)O3 (BZT-75/25) powders were synthesized by the polymeric precursor method. Samples were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) techniques. Their electronic structures were evaluated by first-principle quantum mechanical calculations based on density functional theory at the B3LYP level. Their optical properties were investigated by ultraviolet-visible (UV-Vis) spectroscopy and photoluminescence (PL) measurements at room temperature. XRD patterns and Rietveld refinement data indicate that the samples have a cubic structure. XANES spectra confirm the presence of pyramidal [TiO5] clusters and octahedral [TiO6] clusters in the disordered BZT-75/25 powders. EXAFS spectra indicate distortion of Ti-O and Ti-O-Ti bonds the first and second coordination shells, respectively. UV-Vis absorption spectra confirm the presence of different optical bandgap values and the band structure indicates an indirect bandgap for this material. The density of states demonstrates that intermediate energy levels occur between the valence band (VB) and the conduction band (CB). These electronic levels are due to the predominance of 4d orbitals of Zr atoms in relation to 3d orbitals of Ti atoms in the CB, while the VB is dominated by 2p orbitals related to O atoms. There was good correlation between the experimental and theoretical optical bandgap values. When excited at 482 nm at room temperature, BZT-75/25 powder treated at 500 C for 2 h exhibited broad and intense PL emission with a maximum at 578 nm in the yellow region. © 2013 Elsevier Ltd. All rights reserved.

An approach to implement data fusion techniques in wireless sensor networks using genetic machine learning algorithms

Wireless Sensor Networks (WSNs) can be used to monitor hazardous and inaccessible areas. In these situations, the power supply (e.g. battery) of each node cannot be easily replaced. One solution to deal with the limited capacity of current power supplies is to deploy a large number of sensor nodes, since the lifetime and dependability of the network will increase through cooperation among nodes. Applications on WSN may also have other concerns, such as meeting temporal deadlines on message transmissions and maximizing the quality of information. Data fusion is a well-known technique that can be useful for the enhancement of data quality and for the maximization of WSN lifetime. In this paper, we propose an approach that allows the implementation of parallel data fusion techniques in IEEE 802.15.4 networks. One of the main advantages of the proposed approach is that it enables a trade-off between different user-defined metrics through the use of a genetic machine learning algorithm. Simulations and field experiments performed in different communication scenarios highlight significant improvements when compared with, for instance, the Gur Game approach or the implementation of conventional periodic communication techniques over IEEE 802.15.4 networks. © 2013 Elsevier B.V. All rights reserved.

Optical, mechanical and surface properties of amorphous carbonaceous thin films obtained by plasma enhanced chemical vapor deposition and plasma immersion ion implantation and deposition

Diverse amorphous hydrogenated carbon-based films (a-C:H, a-C:H:F, a-C:H:N, a-C:H:Cl and a-C:H:Si:O) were obtained by radiofrequency plasma enhanced chemical vapor deposition (PECVD) and plasma immersion ion implantation and deposition (PIIID). The same precursors were used in the production of each pair of each type of film, such as a-C:H, using both PECVD and PIIID. Optical properties, namely the refractive index, n, absorption coefficient, α, and optical gap, ETauc, of these films were obtained via transmission spectra in the ultraviolet-visible near-infrared range (wavelengths from 300 to 3300 nm). Film hardness, elastic modulus and stiffness were obtained as a function of depth using nano-indentation. Surface energy values were calculated from liquid drop contact angle data. Film roughness and morphology were assessed using atomic force microscopy (AFM). The PIIID films were usually thinner and possessed higher refractive indices than the PECVD films. Determined refractive indices are consistent with literature values for similar types of films. Values of ETauc were increased in the PIIID films compared to the PECVD films. An exception was the a-C:H:Si:O films, for which that obtained by PIIID was thicker and exhibited a decreased ETauc. The mechanical properties - hardness, elastic modulus and stiffness - of films produced by PECVD and PIIID generally present small differences. An interesting effect is the increase in the hardness of a-C:H:Cl films from 1.0 to 3.0 GPa when ion implantation is employed. Surface energy correlates well with surface roughness. The implanted films are usually smoother than those obtained by PECVD. ©2013 Elsevier B.V. All rights reserved.

Rietveld refinement, morphology and optical properties of (Ba 1-xSrx)MoO4 crystals

In this article, the structural refinement, morphology and optical properties of barium strontium molybdate [(Ba1-x Sr x )MoO4 with x = 0, 0.25, 0.50, 0.75 and 1] crystals, synthesized by the co-precipitation (drop-by-drop) method, are reported. The crystals obtained were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, and Fourier transform-Raman (FT-Raman) and Fourier transform-infrared (FT-IR) spectroscopies. The shapes of the crystals were observed by means of field-emission scanning electron microscopy (FE-SEM). The optical properties were investigated using ultraviolet-visible (UV-Vis) absorption spectroscopy and photoluminescence (PL) measurements. XRD patterns, Rietveld refinement, and FT-Raman and FT-IR spectra showed that all of the crystals are monophasic with a scheelite-type tetragonal structure. The refined lattice parameters and atomic positions were employed to model the [BaO8], [SrO8] and [MoO4] clusters in the tetragonal lattices. The FE-SEM images indicate that increased x content produces a decrease in the crystal size and modifications in the crystal shape. UV-Vis spectra indicated a decrease in the optical band gap with an increase in x in the (Ba1-x Sr x )MoO4 crystals. Finally, a decrease in the intensity of PL emission is apparent with an increase in x up to 0.75 in the (Ba1-x Sr x )MoO4 crystal lattice when excited by a wavelength of 350nm, probably associated with the degree of structural order-disorder. © 2013 International Union of Crystallography Printed in Singapore - all rights reserved.

Structural and optical properties of brominated plasma polymers

Novel brominated amorphous hydrogenated carbon (a-C:H:Br) films were produced by the plasma polymerization of acetylene-bromoform mixtures. The main parameter of interest was the degree of bromination, which depends on the partial pressure of bromoform in the plasma feed, expressed as a percentage of the total pressure, R-B. When bromoform is present in the feed, deposition rates of up to about 110 nm min(-1) may be obtained. The structure and composition of the films were characterized by Transmission Infrared Reflection Absorption Spectroscopy (IRRAS) and X-ray Photo-electron Spectroscopy (XPS). The latter revealed that films with atomic ratios Br:C of up to 0.58 may be produced. Surface contact angles, measured using goniometry, could be increased from similar to 63 degrees (for an unbrominated film) to similar to 90 degrees for R-B of 60 to 80%. Film surface roughness, measured using a profilometer, does not depend strongly on R-B. Optical properties the refractive index, n, absorption coefficient, alpha(E), where E is the photon energy, and the optical gap, E-g, were determined from film thicknesses and data obtained by Transmission Ultraviolet-Visible Near Infrared Spectroscopy (UVS). Control of n was possible via selection of R-B. The measured optical gap increases with increasing F-BC, the atomic ratio of Br to C in the film, and semi-empirical modeling accounts for this tendency. A typical hardness of the brominated films, determined via nano-indentation, was similar to 0.5 GPa. (C), 2013 Elsevier B.V. All rights reserved.

Structural refinement, optical and ferroelectric properties of microcrystalline Ba(Zr0.05Ti0.95)O-3 perovskite

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural, electronic and optical properties of Fe(III) complex with pyridine-2,6-dicarboxylic acid: A combined experimental and theoretical study

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

Vanadium-doped TiO2 anatase nanostructures: the role of V in solid solution formation and its effect on the optical properties

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

Europium-doped calcium titanate: Optical and structural evaluations

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Prediction of Oncogenic Interactions and Cancer-Related Signaling Networks Based on Network Topology

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

Correspondence between the one-loop three-point vertex and the Y and Delta electric resistor networks

Different mathematical methods have been applied to obtain the analytic result for the massless triangle Feynman diagram yielding a sum of four linearly independent (LI) hypergeometric functions of two variables F-4. This result is not physically acceptable when it is embedded in higher loops, because all four hypergeometric functions in the triangle result have the same region of convergence and further integration means going outside those regions of convergence. We could go outside those regions by using the well-known analytic continuation formulas obeyed by the F-4, but there are at least two ways we can do this. Which is the correct one? Whichever continuation one uses, it reduces a number of F-4 from four to three. This reduction in the number of hypergeometric functions can be understood by taking into account the fundamental physical constraint imposed by the conservation of momenta flowing along the three legs of the diagram. With this, the number of overall LI functions that enter the most general solution must reduce accordingly. It remains to determine which set of three LI solutions needs to be taken. To determine the exact structure and content of the analytic solution for the three-point function that can be embedded in higher loops, we use the analogy that exists between Feynman diagrams and electric circuit networks, in which the electric current flowing in the network plays the role of the momentum flowing in the lines of a Feynman diagram. This analogy is employed to define exactly which three out of the four hypergeometric functions are relevant to the analytic solution for the Feynman diagram. The analogy is built based on the equivalence between electric resistance circuit networks of types Y and Delta in which flows a conserved current. The equivalence is established via the theorem of minimum energy dissipation within circuits having these structures.

Investigation of the structural, optical and dielectric properties of highly (100)-oriented (Pb0.60Ca0.20Sr0.20)TiO3 thin films on LaNiO3 bottom electrode

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

Structural, microstructural, optical and electrical properties of (Pb,Ba,Sr)TiO3 films growth on conductive LaNiO3-coated LaAO(3)(100) and Pt/Ti/SiO2/Si substrates

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

The bias in reversing the Box-Cox transformation in time series forecasting: An empirical study based on neural networks

The Box-Cox transformation is a technique mostly utilized to turn the probabilistic distribution of a time series data into approximately normal. And this helps statistical and neural models to perform more accurate forecastings. However, it introduces a bias when the reversion of the transformation is conducted with the predicted data. The statistical methods to perform a bias-free reversion require, necessarily, the assumption of Gaussianity of the transformed data distribution, which is a rare event in real-world time series. So, the aim of this study was to provide an effective method of removing the bias when the reversion of the Box-Cox transformation is executed. Thus, the developed method is based on a focused time lagged feedforward neural network, which does not require any assumption about the transformed data distribution. Therefore, to evaluate the performance of the proposed method, numerical simulations were conducted and the Mean Absolute Percentage Error, the Theil Inequality Index and the Signal-to-Noise ratio of 20-step-ahead forecasts of 40 time series were compared, and the results obtained indicate that the proposed reversion method is valid and justifies new studies. (C) 2014 Elsevier B.V. All rights reserved.

Bio-Optical Properties of the Inner Continental Shelf off Santos Estuarine System, Southeastern Brazil, and their Implications for Ocean Color Algorithm Performance

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