Cristiane W. Raubach

Experimental and theoretical studies on the enhanced photoluminescence activity of zinc sulfide with a capping agent

The photoluminescence (PL) emission from zinc sulfide (ZnS) synthesized by the microwave-assisted solvothermal method in the presence/absence of a capping agent was examined to understand the key role of its PL activity. In addition, we also investigated the electronic structure using a first-principle calculation based on density functional theory (DFT) applied to periodic models at B·LYP level. Two models were selected to simulate the effects of structural deformation on the electronic structure; the ordered o-ZnS model and the disordered d-ZnS model, dislocating the Zn atom, 0.1 A, in the z-direction. The PLemission in the visible region showed different peak positions and intensities in capped and uncapped ZnS. The PL emission was linked to distinct distortions in lattices and the emission of two colors, green in the capped and blue in the uncapped, was also examined in the light of favorable structural and electronic conditions. The computational simulations indicate that the electronic behavior can ...

Gadolinium-doped cerium oxide nanorods: novel active catalysts for ethanol reforming

The gadolinium-doped ceria nanorods (Gd0.2Ce0.8O2−x) were synthesized by hydrothermal treatment. It was shown that the use of microwave heating during hydrothermal treatment decreases the treatment time required to obtain gadolinium-doped ceria nanorods and that oriented attachment is the dominant mechanism responsible for anisotropic growth. It was clear that Gd0.2Ce0.8O2−x nanorods were more catalytically active than commercial CeO2 in the ethanol reforming reaction.

YbF3/SiO2 Fillers as Radiopacifiers in a Dental Adhesive Resin

The objective of this study was to evaluate the effect of functionalizing a dental adhesive resin with YbF3/SiO2 fillers for use as radiopacifiers. Particles of YbF3/SiO2 were obtained with the high-energy mechanical milling method and characterized by both physical and chemical methods. After characterization, the particles were sieved and silanized prior to being incorporated into an adhesive resin. The stability of the particle suspension was then evaluated. After light activation, the radiopacity, degree of conversion, flexural strength and elastic modulus were determined. The dental adhesive resins with 10 and 15 wt% of filler provided satisfactory radiopacity, while flexural strength and elastic modulus were not affected. The degree of conversion was statistically lower than that of the control (p<0.05). The method used for incorporating the tested ytterbium fluoride/silicon dioxide particles at concentrations of 10 and 15 wt% was shown to be feasible for the development of a radiopaque dental adhesive system.

Towards an Understanding on the Role of Precursor in the Synthesis of ZnS Nanostructures

Wurtzite-structured ZnS nanostructures have been synthesized by means of a microwave-solvothermal method at 140°C using three precursors (chloride, nitrate and acetate). Different techniques such as X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible (UV-vis) absorption spectroscopy and photoluminescence (PL) measurements have been employed to characterize this material. The structure, surface morphology, chemical composition and optical properties were investigated as function of precursor. In order to complement experimental results, first principles calculations at DFT level were carried out in order to obtain the relative stability of the proposed intermediates along the formation mechanism.

Experimental and Theoretical Studies of Photoluminescence in ZnS Obtained by Microwave-Assisted Solvothermal Method

A shift of the photoluminescence (PL) emission was observed in ZnS prepared by microwave assisted solvothermal method with the increase of the time in microwave. In this work we reported a study of the optical behavior linking with the structural disorder according to XRD and FEG-TEM results. The reduction of intrinsic defects in the lattice is responsible for the decrease of electronic levels in the band gap changing the PL profile. This effect was confirmed by electronic structure calculations.

Physico-chemical description of titanium dioxide–cellulose nanocomposite formation by microwave radiation with high thermal stability

Titanium dioxide–cellulose nanocomposites were nucleated and grown by decomposition of titanium isopropoxide in ethanol media together with wood cellulose fibers into the microwave-assisted solvothermal (MAS) system; the low temperature and fast formation time of the nanocomposites stand out in this methodology. The MAS method was successfully applied in the synthesis of TiO2 with anatase structure in wood cellulose fibers to produce TiO2–cellulose nanocomposites based on hydrolysis, condensation and subsequent polymerization of titanium nanoparticles on cellulose fibers. Through scanning electron microscope it was possible to confirm nanocomposite formation by impregnation/nucleation/growth of titanium dioxide (TiO2) nanoparticles on the fiber walls. The nanocomposites X-ray powder diffraction showed peaks of crystalline titanium dioxide anatase phase associated to additional cellulose diffraction remarks, as well as the absence of the CaCO3 phase, proving the nanocomposite design concept. This means that the inclusion of TiO2 nanoparticles on fibers does not alter the crystalline structure of cellulose, also confirmed by Fourier-transform mid-infrared spectroscopy. Based on the thermogravimetric analysis, nanocomposites are thermally more stable than pure cellulose, reaching a 19% difference of mass loss reduction.

Al2O3 and Al2O3-ZrO2 Fibers Obtained by Biotemplete with Low Thermal Conductivity

Certain porous materials have special properties and functions that cannot normally be obtained by conventional dense counterparts. Therefore, porous materials are now used in many applications such as final products and in various technological processes. Macroporous materials are used in various forms and compositions in everyday life; e.g. polymeric foams, packaging, lightweight aluminum structures in buildings, aircraft, and as a porous ceramic for water [1,2].

Microstructure and Thermal Conductivity of Porous Al2O3-ZrO2 Ceramics

The improvement on the development of porous ceramic materials has leaded to new technologies in thermal insulation, for example, composite materials for better performance of pressure vessels in rocket engines. Within this context, the present work aims to evaluate the ability of a refractory ceramic base alumina/zirconia through the processes of co-precipitation and replica method in an organic fiber template. The green body was burnt-out and sintered at 1200-1600°C to obtain the continuous porous ceramic fibers. In the FEG-SEM analysis, an interconnected porous structure with small grains was observed. The crystalline phases were determined by X-ray diffraction and compared to micro-Raman results regarding the crystalline structure confirms that there present in the material zirconia is composed of more than one phase. Porosity was calculated through a mercury porosimeter as 77.9%, and the Laser Flash method gave a thermal conductivity value of 1.61 K W.m−1.K−1 for the Al2O3-ZrO2 fibers.