Room-temperature photoluminescence of BaTiO3: Joint experimental and theoretical study

Strong photoluminescent emission has been measured at room temperature for noncrystalline BaT'O-3 (BT) perovskite powders. A joint experimental and theoretical study has been carried out to rationalize this phenomenon. From the experimental side, BT powder samples have been synthesized following a soft chemical processing, their crystal structure has been confirmed by x-ray data and the corresponding photoluminescence (PL) properties have been measured. Only the structurally disordered samples present PL at room temperature. From the theoretical side, first-principles quantum-mechanical techniques, based on density-functional theory at the B3LYP level, have been employed to study the electronic structure of crystalline (BT-c) and asymmetric (BT-a) models. Theoretical and experimental results are found to be consistent and their confrontation leads to an interpretation of the PL apparition at room temperature in the structurally disordered powders.

Conditions giving rise to intense visible room temperature photoluminescence in SrWO4 thin films: the role of disorder

The nature of intense visible photoluminescence at room temperature of SrWO4 (SWO) non-crystalline thin films is discussed in the light of experimental results and theoretical calculations. The SWO thin films were synthesized by the polymeric precursors method. Their structural properties have been obtained by X-ray diffraction data and the corresponding photoluminescence (PL) spectra have been measured. The UV-vis optical spectra measurements suggest the creation of localized states in the disordered structure. The photoluminescence measurements reveal that the PL changes with the degree of disorder in the SWO thin film. To understand the origin of visible PL at room temperature in disordered SWO, we performed quantum-mechanical calculations on crystalline and disordered SWO periodic models. Their electronic structures are analyzed in terms of DOS, hand dispersion and charge densities. We used DFT method with the hybrid non-local B3LYP approximation. The polarization induced by the symmetry break and the existence of localized levels favors the creation of trapped holes and electrons, giving origin to the room temperature photoluminescence phenomenon in the SWO thin films. (c) 2004 Elsevier B.V. All rights reserved.

Performance of an operating high energy physics data grid: DOSAR-Grid

The DO experiment at Fermilab's Tevatron will record several petabytes of data over the next five years in pursuing the goals of understanding nature and searching for the origin of mass. Computing resources required to analyze these data far exceed capabilities of any one institution. Moreover, the widely scattered geographical distribution of DO collaborators poses further serious difficulties for optimal use of human and computing resources. These difficulties will exacerbate in future high energy physics experiments, like the LHC. The computing grid has long been recognized as a solution to these problems. This technology is being made a more immediate reality to end users in DO by developing a grid in the DO Southern Analysis Region (DOSAR), DOSAR-Grid, using a available resources within it and a home-grown local task manager, McFarm. We will present the architecture in which the DOSAR-Grid is implemented, the use of technology and the functionality of the grid, and the experience from operating the grid in simulation, reprocessing and data analyses for a currently running HEP experiment.

Experimental and theoretical investigation of the room-temperature photoluminescence of amorphized Pb(ZrTi)O-3

Ultrafine PbZr0.20Ti0.80O3 was omorphized through high-energy mechanical milling. The structural evolution through the omorphization process was accompanied by various characterization techniques, such as X-ray diffraction, Fourier-transformed IR spectroscopy (FTIR), high-resolution transmission electron microscopy (HR-TEM), and Raman spectroscopy. A strong photoluminescence was measured at room temperature for amorphized PbZr0.20Ti0.80O3, and interpreted by means of high-level quantum mechanical calculations in the density functional theory frame-work. Three periodic models were used to represent the crystalline and amorphized PbZr0.20Ti0.80O3, and they allowed the calculation of electronic properties that are consistent with the experimental data and that explain the appearance of photoluminescence.

An investigation of metal oxides which are photoluminiscent at room temperature

Amorphous thin films, based on different network formers, were processed by a soft chemical process called the polymeric precursor method. The resultant amorphous metal oxides, displayed intense photoluminescence (PL) at room temperature. Heat treatment increases the PL intensity of these materials. Theoretical ab initio calculations are correlated with the observed experimental trends. (C) 2004 Elsevier B.V. All rights reserved.

Evaluation of the Spreading of Isolated Bacterias from Dental Consulting-Room using RAPD Technique

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Disorder-dependent photoluminescence in Ba0.8Ca0.2TiO3 at room temperature

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

Crystallization at room temperature from amorphous to trigonal selenium as a byproduct of the synthesis of water dispersible zinc selenide

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

Strong violet-blue light photoluminescence emission at room temperature in SrZrO3: Joint experimental and theoretical study

Ultrafine ordered and disordered SrZrO3 powders were prepared by the polymeric precursor method. The structural evolution from structural disorder to order was monitored by X-ray diffraction and X-ray absorption near-edge spectroscopy. Complex cluster vacancies [ZrO5 center dot V-O(Z)] and [SrOII center dot V-O(Z)] (where V-O(Z) = V-O(X), V-O(center dot) and V-O(center dot center dot)) were proposed for disordered powders. The intense violet-blue light photoluminescence emission measured at room temperature in the disordered powders was attributed to complex cluster vacancies. High-level quantum mechanical calculations within the density functional theory framework were used to interpret the experimental results. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Intense and broad photoluminescence at room temperature in structurally disordered Ba[Zr0.25Ti0.75]O-3 powders: An experimental/theoretical correlation

Intense and broad photoluminescence (PL) emission at room temperature was observed on structurally disordered Ba[Zr0.25Ti0.75]O-3 (BZT) powders synthesized by the polymeric precursor method. BZT powders were annealed at 573 K for different times and at 973 K for 2 h in oxygen atmosphere. The single-phase cubic perovskite structure of the powder annealed at 973 K for 2 It was identified by X-ray diffraction and Fourier transform Raman techniques. PL emission increased with the increase of annealing time, which reached its maximum value in the powder annealed at 573 K for 192 h. First principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and disordered models. The theoretical calculations and experimental measurements of Ultraviolet-visible absorption spectroscopy indicate that the presence of intermediary energy levels in the band gap is favorable for the intense and broad PL emission at room temperature in disordered BZT powders. The PL behavior is probably due the existence of a charge gradient on the disordered structure, denoted by means of a charge transfer process from [TiO5]-[ZrO6] or [TiO6]-[ZrO5] clusters to [TiO6]-[ZrO6] clusters. (C) 2008 Elsevier Ltd. All rights reserved.

Photoluminescence in the CaXSr1-xWO4 system at room temperature

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

BaMoO(4) powders processed in domestic microwave-hydrothermal: Synthesis, characterization and photoluminescence at room temperature

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The role of oxygen vacancy in the photoluminescence property at room temperature of the CaTiO3

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

Experimental analysis of heat recoveries with heat pipes operating in low inclination angle

Heat recovery devices are important in the optimization of thermal systems, since they can be used to reduce thermal losses to the environment. The use of heat pipes in these types of equipment can provide heat recoveries of higher efficiency, since both fluid flows are external and there are less contamination risks between the hot and cold fluids. The objective of this work is to study a heat recovery unit constructed with heat pipes and mainly, to analyze the influence of the inclination of the heat pipes on the performance of the equipment. For this analysis, a heat recovery unit was constructed which possesses 48 finned heat pipes in triangular geometry, the evaporator and condenser being of the same length. This unit was tested in an air-air system simulating a heat recovery process in which heat was supplied to the hot fluid by electrical resistances. The results have shown that there exists an inclination at which the system has a better performance, but for higher inclinations there is no significant increase of the efficiency of the system. This paper also presents the influence of inclination of heat pipes on effectiveness and NTU parameters which are important in heat exchanger design.