Thermal and structural study of glasses in the binary system TeO2-Pb(PO3)(2)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Electrical and Mechanical Properties of Post-annealed SiC(x)N(y) Films

Amorphous SiC(x)N(y) films have been deposited on (100) Si substrates by RF magnetron sputtering of a SiC target in a variable nitrogen-argon atmosphere. The as-deposited films were submitted to thermal anneling in a furnace under argon atmosphere at 1000 degrees C for 1 hour. Composition and structure of unannealed and annealed samples were investigated by RBS and FTIR. To study the electrical characteristics of SiC(x)N(y) films, Metal-insulator-semiconductor (MIS) structures were fabricated. Elastic modulus and hardness of the films were determined by nanoindentation. The results of these studies showed that nitrogen content and thermal annealing affect the electrical, mechanical and structural properties of SiC(x)N(y) films.

Physicochemical and structural characteristics of rice starch modified by irradiation

This work evaluated the physicochemical and structural properties of rice starch of the cultivars IAC 202 and IRGA 417 modified by irradiation. Starch samples were irradiated by (60)Co in doses 1, 2 and 5kGy, on a rate of 0.4kGy/h. A control not irradiated was used for comparison. The granule morphology and A-type X-ray diffraction pattern were not altered by irradiation. There was an increase in amylose content, carboxyl content and acidity with irradiation. Gamma radiation did not affect the thermal properties of IAC202, but increased gelatinization temperature of IRGA417, in the higher dose (5kGy). The number of long chains of amylopectin was reduced and short chains were increased for IAC202, whereas for IRGA 417, the opposite was observed, probably due to cross-linking of starch chains. Starches had their physicochemical and structural properties modified by irradiation differently.

EXAFS investigation on Sb incorporation effects to electrical transport in SnO2 thin films deposited by sot-gel

The effect of Sb doping in SnO2 thin films prepared by the sol-gel dip-coating (SGDC) process is investigated. Electronic and structural properties are evaluated through synchrotron radiation measurements by EXAFS and XANES. These data indicate that antimony is in the oxidation state W, and replaces tin atoms (Sn4+), at a grain surface site. Although the substitution yields net free carrier concentration, the electrical conductivity is increased only slightly, because it is reduced by the high grain boundary scattering. The overall picture leads to a shortening of the grain boundary potential, where oxygen vacancies compensate for oxygen adsorbed species, decreasing the trapped charge at grain boundary. (c) 2007 Elsevier Ltd. All rights reserved.

Fullerenes generated from porous structures

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

Density functional theory calculation of the electronic structure of Ba0.5Sr0.5TiO3: Photoluminescent properties and structural disorder

First-principles quantum-mechanical techniques, based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models for Ba0.5Sr 0.5TiO3. Electronic properties are analyzed and the relevance of the present theoretical and experimental results on the photoluminescence behavior is discussed. The presence of localized electronic levels in the band gap, due to the symmetry break, would be responsible for the visible photoluminescence of the amorphous state at room temperature. Thin films were synthesized following a soft chemical processing. Their structure was confirmed by x-ray data and the corresponding photoluminescence properties measured.

Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

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

A relationship between structural and electronic order-disorder effects and optical properties in crystalline TiO2 nanomaterials

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

Influence of the common varistor dopants (CoO, Cr2O3 and Nb2O5) on the structural properties of SnO2 ceramics

The influence of dopants commonly used in SnO2 varistor ceramics, such as CoO, Cr2O3 or Nb2O5, on the structural properties of SnO2 was investigated. Several SnO2-based ceramics containing only one of the dopants were prepared and characterized. Spectroscopic investigations [visible, near infrared (IR) and IR region] were performed to obtain information about dopants valence states inside the ceramics, as well as about their influence on electronic structure of the material. Structural properties were investigated by X-ray diffraction analysis and mechanisms of dopant incorporation were proposed. Obtained results were confirmed with results of the electrical measurements. Microstructural changes in doped ceramics were investigated by scanning electron microscopy (SEM) analysis that showed great differences in densities, grain size, and morphology of the SnO2 ceramics depending on type of dopants and their distribution. (C) 2004 Published by Elsevier B.V.

Influence of different solvents on the structural, optical and morphological properties of CdS nanoparticles

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

Investigation on the structural properties in Er-doped PbTiO3 compounds: A correlation between experimental and theoretical results

The aim of this work is to investigate the structural properties of the (Pb1-xErx)TiO3 (PET) powders, with x varying from 0.01 to 0.08, prepared by the polymeric precursor method. Combined X-ray diffraction, Raman spectroscopy and ab initio calculation reveal a diffuse phase-transition of a tetragonal to a cubic phase. The crystalline models built allowed to calculate electronic properties and to analyze the behavior of the doping element in the structure of the material, which are consistent with the experimental results that indicate the beginning of phase-transition from tetragonal to cubic. (C) 2007 Elsevier B.V. All rights reserved.

Effect of structural anisotropy on electrical and magnetic properties of polyaniline conducting films

It is shown that highly conducting films of polyaniline protonated with di-esters of sulfosuccinic and sulfophthalic acids which contain alkyl- or alkoxy-type substituents exhibit highly anisotropic structural, electrical and magnetic properties. The layered-like structure of these films can be described as consisting of polyaniline chains which are mainly oriented parallel to the plane of the film and form regular out-of-plane stacks. These stacks are separated by bilayers of the dopant anions. Accordingly, the main anisotropy observed for solution cast films implies in-plane and out-of-plane measurements. An electrical anisotropy of about 80 is found for the in-plane and out-of-plane electronic conductivities at 5 K. The temperature dependences of the in-plane and out-of-plane conductivities are qualitatively similar and have been fitted as a series combination of variable-range-hopping-type and power law contributions. A maximum is observed in the temperature dependence of the electrical anisotropy at low temperature. The films also show a clear anisotropy of magnetization whose temperature and field characteristics depend on the chemical structure of the dopant anion. © 2013 Elsevier B.V.

Experimental and Theoretical Investigations of Electronic Structure and Photoluminescence Properties of beta-Ag2MoO4 Microcrystals

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural and thermal properties of spray-dried methotrexate-loaded biodegradable microparticles

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A theoretical investigation of the structural and eletronic properties of orthorhombic CaZrO3

A CaZrO3 (CZO) powder was prepared by the soft chemical, polymeric precursor method (PPM). The CZO crystalline structure was investigated by powder X-ray diffraction (XDR), Retvield Refinament data, Raman spectra and ultraviolet–visible absorption spectroscopy. A theoretical study was performed using a periodic quantum mechanical calculation (CRYSTAL09 program). The periodic model built for the crystalline CZO structure was consistent with the experimental data obtained from structural and electronic properties. These results show that the material has an orthorhombic structure with experimental and theoretical gap values of 5.7 eV and 6.2 eV, respectively. In this article, we discuss the hybridization process of the oxygen p-orbitals and of the zirconium d-orbitals and analyze their band structures and density of states (partial and total).