Estudo no grau de ordem-desordem no 'SR''BI IND 2''NB IND 2''O IND.9 pela influência do íon 'EU IND.3'/' e tratamento térmico por microondas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelagem em simulação computacional do cristal e superfícies do BaZr'O IND. 3' e SrZrO IND. 3': propriedades eletrônicas e estruturais

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Atividade pozolânica dos resíduos cauliníticos das indústrias de mineração de caulim da Amazônia

As regiões do Rio Capim e do Rio Jari são os principais distritos caulinitícos da Região Amazônica, detentores das maiores reservas brasileiras de caulim de alta alvura para aplicações como cobertura de papel. No processamento do caulim são gerados vários tipos de resíduos processados e não processados. O objetivo deste trabalho foi investigar a reatividade das pozolanas produzidas a partir da calcinação e moagem destes resíduos, avaliando a influência da mineralogia de cada tipo de caulinita (com maior ou menor quantidade de defeitos na estrutura cristalina) sobre a temperatura de queima e, consequentemente, nas características do produto final, de modo a obter o material de maior reatividade com um menor dispêndio de energia. Os resultados mostraram que as pozolanas produzidas a partir dos resíduos apresentaram alta reatividade, sendo inclusive superiores as das obtidas com as pozolanas disponíveis comercialmente. As pozolanas produzidas das caulinitas com maior grau de defeitos na estrutura cristalina demandaram temperaturas mais reduzidas que a com menor grau de defeitos. O emprego de caulinitas com maior quantidade de defeitos na estrutura cristalina reduz os custos de produção das pozolanas, sem que haja perda de qualidade ou de reatividade do produto.

Fotoluminescência e mecanismo de crescimento em titanatos nanoestruturados

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Emissão luminescente no titanato de cálcio dopado com íons de terras-raras

Through the polymeric precursor method were synthesized samples Ca0.98Sr0.01X0.01TiO3 (X= Eu3+, Sm3+ and Pr3+), which under different heat treatments were obtained with levels of distinct structural order-disorder. The synthesized materials were characterized by X-ray diffraction, confirming the obtaining of ahomogeneous material with perovskite-type orthorhombic structure. This characterization allowed evaluating the average crystallite size of the samples that varies depending on the rare-earth ion. The results of photoluminescence emission confirmed the presence of this optical phenomenon at room temperature and its relationship to the level of order-disorder structural system. The photoluminescence emission is more intense in samples annealed at 500 ° C (independent on the dopant ion), the variation of the dopant influence on the emission intensity due to charge transfer between the host and emitting rare-earth ion, where the doped with Pr3+ ion has charge transfer more efficient and hence more intense emission in the photoluminescence. Another factor that favors the optical property of the samples is the charge compensation, as it contributes to the increase in structural disorder due to formation of Ca2+ vacancies.

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)

Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO2 nanoparticles

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Europium-doped calcium titanate: Optical and structural evaluations

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Photoluminescence properties of CaTiO3:Eu3+ nanophosphor obtained by the polymeric precursor method

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Structural and electronic analysis of the atomic scale nucleation of Ag on alpha-Ag2WO4 induced by electron irradiation

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

Toward an Understanding of the Growth of Ag Filaments on alpha-Ag2WO4 and Their Photoluminescent Properties: A Combined Experimental and Theoretical Study

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Very Intense Distinct Blue and Red Photoluminescence Emission in MgTiO 3 Thin Films Prepared by the Polymeric Precursor Method: An Experimental and Theoretical Approach

MgTiO3 (MTO) thin films were prepared by the polymeric precursor method with posterior spin-coating deposition. The films were deposited on Pt(111)/Ti/SiO2/Si(100) substrates and heat treated at 350 °C for 2 h and then heat treated at 400, 450, 500, 550, 600, 650 and 700 °C for 2 h. The degree of structural order−disorder, optical properties, and morphology of the MTO thin films were investigated by X-ray diffraction (XRD), micro-Raman spectroscopy (MR), ultraviolet− visible (UV−vis) absorption spectroscopy, photoluminescence (PL) measurements, and field-emission gun scanning electron microscopy (FEG-SEM) to investigate the morphology. XRD revealed that an increase in the annealing temperature resulted in a structural organization of MTO thin films. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and disordered asymmetric models. The electronic properties were analyzed, and the relevance of the present theoretical and experimental results was discussed in the light of PL behavior. The presence of localized electronic levels and a charge gradient in the band gap due to a break in the symmetry are responsible for the PL in disordered MTO lattice.

Freezing Distortions and Photoluminescence Property in PbMoO4 Micro Octahedrons: An Experimental and Theoretical Study

In this paper, we report a detailed structural and electronic characterization of PbMoO4 crystals by using a conventional hydrothermal (CH) method. The samples were characterized by X-ray diffraction (XRD), Fourier transform Raman (FT-Raman), field-emission gun scanning electron microscopy (FEG-SEM) and photoluminescence (PL) measurements. In addition, first-principles quantum mechanical calculations based on the density functional theory were employed in order to understand the band structure and density of states for the PbMoO4. Analysis of both theoretical and experimental results allows to rationalize the role of order-disorder effects in the observed green PL emissions in these ordered powders.

Parameters optimization of heat treatment for obtaining luminescent PZT powders

Low crystalline PZT powder samples were successfully synthesized using polymeric precursor method and slow decomposition steps. The polymeric resin precursor was thermal treated in a muffle type oven varying the temperature from 250 °C to 700 °C and the time from 3 to 24 hours in order to investigate the order/disorder mechanism toward the amorphous powders. Powder samples with low crystalline phases were obtained at lower temperatures and long time of thermal treatment, demonstrating a kinetic dependence for organic removal and a thermodynamic barrier for crystallization processes. Through XRD and FTIR spectroscopy characterizations the long time thermal treated samples showed to be composed of the solid solution of metal oxides in absent of organic matter, originating broad XRD peaks profiles and no carbonaceous bands in FTIR spectra. A Photoluminescence characterization showed that the peak emission is higher for disordered and homogeneous phases, which only can be reached through the long time of thermal treatment.

Um estudo teórico e experimental de nanoestruturas de 'ZnS': propriedades físicas e químicas

Pós-graduação em Química - IQ