EQCM study during lithium insertion/deinsertion processes in Nb2O5 films prepared by polymeric precursor method

The electrochemical quartz crystal microbalance (EQCM) technique was used to study two chemically distinct Nb2O5 electrochromic thin films (one pure and the other lithium-doped) during the lithium electroinsertion reaction. In the initial cycles, the electrode showed an irreversible mass variation greater than expected for Li+ insertion/deinsertion processes, which was attributed to the wettability effect (allied to the porous morphology) that emerged as the dominant process in apparent electrode mass changes. As the cycles progressed, the mass variation stabilized and the changes in apparent mass became reversible, showing a good correlation with the charge variations.The results generally indicated that the Li+ insertion/deinsertion process occurred more easily in the Nb2O5-doped film, which also displayed a greater capacity for Li+ insertion. However, a total mass/charge balance analysis revealed that the stoichiometry of the Li+ solid state insertion/deinsertion reaction was similar in the two electrodes under study. © 2005 Elsevier B.V. All rights reserved.

Influence of temperature on the dielectric and ferroelectric properties of bismuth titanate thin films obtained by the polymeric precursor method

The (1 1 7) and (0 0 1 0)-oriented Bi4Ti3O12 thin films were fabricated on Pt/Ti/SiO2/Si substrates by using a polymeric precursor solution under appropriate crystallization conditions. Atomic force microscopy and scanning electron microscopy showed relatively large grains, which is typical for this system. The capacitance dependence on voltage is strongly non-linear, confirming the ferroelectric properties of the films resulting from the domain switching. The (1 1 7)-oriented films exhibited a higher remanent polarization (23.7 μ C cm(-2)) than the (0 0 1 0)-oriented films (11.8 μ C cm(-2)). Fatigue tests revealed that the temperature of thermal treatment and degree of orientation affect the performance of the device. © 2005 Elsevier B.V. All rights reserved.

Effect of drying method on the sorption isotherms and isosteric heat of persimmon pulp powder

Moisture equilibrium data of persimmon pulp powders with 50% maltodextrin (dry basis) obtained with different drying methods were determined at 20, 30, 40 and 50 degrees C. The spray-dryer gave a dry product with a higher adsorption capacity than the other methods. The vacuum- and freeze-dried products had the same adsorption capacity. The highest isosteric heat of sorption was observed for powders produced by spray-drying. The isokinetic temperature (T(B)) calculated for persimmon pulp powder obtained by vacuum-, spray- and freeze-drying were 541.4 K, 616.3 K, 513.2 K, respectively. The sorption process was spontaneous and enthalpy controlled.

Preparation and characterizations of Ba0.8Ca0.2TiO3 by complex polymerization method (CPM)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Development of metal oxide nanoparticles by soft chemical method

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

Gaussian basis sets by generator coordinate Hartree-Fock method to ab initio calculations of electron affinities of enolates

The Generator Coordinate Hartree-Fock (GCHF) method is employed to generate uncontracted 15s and 18s11p gaussian basis sets for the H, C and O atoms, respectively. These basis sets are then contracted to 3s and 4s H atom and 6s5p, for C and O atoms by a standard procedure. For quality evaluation of contracted basis sets in molecular calculations, we have accomplished calculations of total and orbital energies in the Hartree-Fock-Roothaaii (HFR) approach for CH, C(2) and CO molecules. The results obtained with the uncontracted basis sets are compared with values obtained with the standard D95, 6-311G basis sets and with values reported in the literature. The 4s and 6s5p basis sets are enriched with polarization and diffuse functions for atoms of the parent neutral systems and of the enolates anions (cycloheptanone enolate, 2,5-dimethyleyelopentanone enolate, 4-heptanone enolate, and di-isopropyl ketone enolate) from the literature, in order to assess their performance in ab initio molecular calculations, and applied for calculations of electron affinities of the enolates. The calculations were performed at the DFT (BLYP and B3LYP) and HF levels and compared with the corresponding experimental values and with those obtained by using other 6-3 1 + +G((*)) and 6-311 + +G((*)) basis sets from literature. For the enolates studied, the differences between the electron affinities obtained with GCHF basis sets, at the B3LYP level, and the experimental values are -0.001, -0,014, -0.001, and -0.001 eV. (C) 2002 Elsevier B.V. B.V. All rights reserved.

An image processing method for morphology characterization and pitting corrosion evaluation

A digital image processing and analysis method has been developed to classify shape and evaluate size and morphology parameters of corrosion pits. This method seems to be effective to analyze surfaces with low or high degree of pitting formation. Theoretical geometry data have been compared against experimental data obtained for titanium and aluminum alloys subjected to different corrosion tests. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Evaluation of in vitro gas production of roughages and their mixtures using the curves subtraction method

The in vitro gas production of four single roughages and their paired combinations (1:1 on dry matter basis) were evaluated. Two roughage samples (100 mg) per treatment were fermented with ruminal fluid during a 48 h incubation period. Total 48 h gas volumes of fermentation dry matter (DM), neutral detergent fiber (NDF) and soluble compounds in neutral detergent (NDS) were for sugarcane = 16.8, 11.2, 6.9 mL; sugarcane + corn silage = 20.1, 12.6, 9.1 mL; sugarcane + 60-day elephantgrass = 16.5, 17.6 mL; sugarcane + 180-day elephantgrass = 13.8, 8.2, 5.9 mL; corn silage = 18.8, 16.8, 4.7 mL; corn silage + 60-day elephantgrass = 16.3, 15.4, 2.4 mL; corn silage + 180-day elephantgrass = 16.1, 11.8, 4.2 mL; 60-day elephantgrass = 16.9, 19.0 mL and 180-day elephantgrass = fermented 10.7, 12.2 mL, respectively. The NDS gas production was not possible to estimate for sugarcane + 60-day elephantgrass, 60-day elephantgrass and 180-day elephantgrass. The present data shows that the curves subtraction method can be an option to evaluate the contribution of the soluble fractions in roughages to digestion kinetics. However, this method underestimates the NDS gas contribution when roughages are low in crude protein and soluble carbohydrates. It is advisable to directly apply the two-compartmental mathematical model to the digestion curves for roughage DM, when determining the NDS gas volume and the digestion rate. This method is more straightforward and accurate when compared to the curve subtraction method. Non-structural carbohydrates combined with fiber and protein promoted a positive associative effect in sugarcane + corn silage (50:50) mixture. Therefore, it can be concluded that the soluble fraction of roughages greatly contributes to gas production. (C) 2004 Elsevier B.V. All rights reserved.

CaTiO3:Eu3+ obtained by microwave assisted hydrothermal method: A photoluminescent approach

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Structural refinement and photoluminescence properties of irregular cube-like (Ca-1_Cu-x(x))TiO3 microcrystals synthesized by the microwave-hydrothermal method

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A new processing method of CaZn2(OH)(6)center dot 2H(2)O powders: Photoluminescence and growth mechanism

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

SrSnO3:Nd obtained by the polymeric precursor method

In this work, the synthesis of Nd-doped SrSnO3 by the polymeric precursor method, with calcination between 250 and 700 A degrees C is reported. The powder precursors were characterized by TG/DTA and high temperature X-ray diffraction (HTXRD). After heat treatment, the material was characterized by XRD and infrared spectroscopy. Ester and carbonate amounts were strictly related to Nd-doping. According to XRD patterns, the orthorhombic perovskite was obtained at 700 A degrees C for SrSnO3 and SrSn0.99Nd0.01O3. For Sr0.99Nd0.01SnO3, the kinetics displayed an important hole in the crystallization process, as no peak was observed in HTXRD up to 700 A degrees C, while a XRD patterns showed a crystalline material after calcination at 250 A degrees C.

CeO2 nanoparticles synthesized by a microwave-assisted hydrothermal method: evolution from nanospheres to nanorods

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

Characterization of dense lead lanthanum titanate ceramics prepared from powders synthesized by the oxidant peroxo method

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