Combined experimental and theoretical investigations of the photoluminescent behavior of Ba(Ti,Zr)O-3 thin films

The correlation between experimental data and theoretical calculations have been investigated to explain the photoluminescence at room temperature of Ba(Ti0.75Zr0.25)O-3 (BTZ) thin films prepared by the polymeric precursor method. The degree of structural order-disorder was investigated by X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet-visible absorption spectroscopy and photoluminescence (PL) measurements. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models. The electronic properties are analyzed and the relevance of the present theoretical and experimental results on the PL behavior is discussed. The presence of localized electronic levels and a charge gradient in the band gap due to a break in symmetry, are responsible for the PL in disordered BTZ lattice. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Influence of cerium (IV) ions on the mechanism of organosilane polymerization and on the improvement of its barrier properties

In this work, the effect of cerium (IV) ammonium nitrate (CAN) addition on the polymerization of bis-[triethoxysilyl]ethane (BTSE) film applied on carbon steel was studied. The electrochemical characterization of the films was carried out in 0.1 mol L(-1) NaCl solution by open-circuit potential measurements, anodic and cathodic polarization curves and electrochemical impedance spectroscopy (EIS). Morphological and chemical characterization were performed by atomic force microscopy (AFM), contact angle measurements, infrared-spectroscopy, nuclear magnetic resonance and thermogravimetric analysis. The results have clearly shown the improvement on the protective properties of the Ce(4+) modified film as a consequence of the formation of a more uniform and densely reticulated silane film. A mechanism is proposed to explain the accelerating role of Ce(4+) ions on the cross-linking of the silane layer. (C) 2008 Elsevier Ltd. All rights reserved.

Dependence of annealing time on structural and morphological properties of Ca(Zr0.05Ti0.95)O-3 thin films

Ca(Zr0.05Ti0.95)O-3 (CZT) thin films were prepared by the polymeric precursor method by spin-coating process. The films were deposited on Pt(1 1 1)/Ti/SiO2/Si(1 0 0) substrates and annealed at 650 degrees C for 2,4, and 6 It in oxygen atmosphere. Structure and morphology of the CZT thin films were characterized by the X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), atomic force microscopy (AFM) and field-emission scanning electron microscopy (FEG-SEM). XRD revealed that the film is free of secondary phases and crystallizes in the orthorhombic structure. The annealing time influences the grain size, lattices parameter and in the film thickness. (c) 2006 Elsevier B.V. All rights reserved.

Al3+ environments in nanostructured ZnAl2O4 and their effects on the luminescence properties

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

Black and green pigments based on chromium-cobalt spinels

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Electrochemical and spectroscopic characterization of screen-printed gold-based electrodes modified with self-assembled monolayers and Tc85 protein

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

Estudo do comportamento térmico dos compostos de Ag+ e Pb2+ com o ligante 1,4-bis(3-carbóxi-3-oxo-prop-1-enil)benzeno

Este trabalho reporta o estudo de compostos binários do dicarboxilato 1,4-bis(3-carbóxi-3-oxo-prop-1-enil)benzeno, C6H4(-CH=CH-CO-COO-)2 , com os cátions metálicos Ag+ e Pb2+, obtidos a partir de soluções aquosas do ligante e dos nitratos dos cátions metálicos, em proporções estequiométricas. Para a caracterização e o estudo do processo de decomposição térmica desses compostos foram empregadas Espectrofotometria de Absorção na Região do Infravermelho com Transformada de Fourier (FT-IR), Análise Elementar (C, H), Complexometria com EDTA, Termogravimetria (TG) e Calorimetria Exploratória Diferencial (DSC).

Synthesis, characterization and thermal behaviour of heavy trivalent lanthanide malonates

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

Evaluation of organic molecules originated during composting process

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Bacterial cellulose/poly(3-hydroxybutyrate) composite membranes

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Characterization and thermal behavior of residues from industrial sugarcane processing

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Equilibrium, Thermoanalytical and Spectroscopic Studies to Characterize Phytic Acid Complexes with Mn(II) and Co(II)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Synthesis, characterization and thermal behaviour of solid-state compounds of europium(III) and gadolinium(III) 3-methoxybenzoate

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

Synthesis, characterization and thermal behaviour on solid tartrates of some bivalent metal ions

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

Changes in optical properties caused by UV-irradiation of aquatic humic substances from the amazon river basin: Seasonal variability evaluation

Aquatic humic substances (AHS) isolated from two characteristic seasons of the Negro river, winter and summer corresponding to floody and dry periods, were structurally characterized by (13)C nuclear magnetic ressonance. Subsequently, AHS aqueous solutions were irradiated with a polychromatic lamp (290-475 nm) and monitored by its total organic carbon (TOC) content, ultraviolet-visible (UV-vis) absorbance, fluorescence and Fourier transformed infrared spectroscopy (FTIR). As a result, a photobleaching upto 80% after irradiation of 48 h was observed. Conformational rearrangements and formation of low molecular complexity structures were formed during the irradiation, as deduced from the pH decrement and the fluorescence shifting to lower wavelengths. Additionally a significant mineralization with the formation of CO(2), CO, and inorganic carbon compounds was registered, as assumed by TOC losses of up to 70%. The differences in photodegradation between samples expressed by photobleaching efficiency were enhanced in the summer sample and related to its elevated aromatic content. Aromatic structures are assumed to have high autosensitization capacity effects mediated by the free radical generation from quinone and phenolic moieties.