Electronic structure and magnetic properties of FeWO 4 nanocrystals synthesized by the microwave-hydrothermal method

This communication reports that FeWO 4 nanocrystals were successfully synthesized by the microwave-hydrothermal method at 443 K for 1 h. The structure and shape of these nanocrystals were characterized by X-ray diffraction, Rietveld refinement, and transmission electron microscopy. The experimental results and first principles calculations were combined to explain the electronic structure and magnetic properties. Experimental data were obtained by magnetization measurements for different applied magnetic fields. Theoretical calculations revealed that magnetic properties of FeWO 4 nanocrystals can be assigned to two magnetic orderings with parallel or antiparallel spins in adjacent chains. These factors are crucial to understanding of competition between ferro- and antiferromagnetic behavior. © 2012 Elsevier Inc.

Interface formation of nanostructured heterojunction SnO 2:Eu/GaAs and electronic transport properties

Thin films of tin dioxide (SnO2) are deposited by the sol-gel-dip-coating technique, along with GaAs layers, deposited by the resistive evaporation technique. The as-built heterojunction has potential application in optoelectronic devices, combining the emission from the rare-earth doped transparent oxide (Eu3+-doped SnO2 presents very efficient red emission) with a high mobility semiconductor. The advantage of this structure is the possibility of separation of the rare-earth emission centers from the electron scattering, leading to a strongly indicated combination for electroluminescence. Electrical characterization of the heterojunction SnO2:Eu/GaAs shows a significant conductivity increase when compared to the conductivity of the individual films, and the monochromatic light irradiation (266 nm) at low temperature of the heterojunction GaAs/SnO2:Eu leads to intense conductivity increase. Scanning electron microscopy (SEM) of the heterojunction cross section shows high adherence and good morphological quality of the interfaces substrate/SnO2 and SnO2/GaAs, even though the atomic force microscopy (AFM) image of the GaAs surface shows disordered particles, which increases with sample thickness. On the other hand, the good morphology of the SnO2:Eu surface, shown by AFM, assures the good electrical performance of the heterojunction. The observed improvement on the electrical transport properties is probably related to the formation of short conduction channels at the semiconductors interface, which may exhibit two-dimensional electron gas (2DEG) behavior. © 2012 Elsevier B.V. All rights reserved.

Local electronic structure, optical bandgap and photoluminescence (PL) properties of Ba(Zr0.75Ti0.25)O3 powders

Ba(Zr0.75Ti0.25)O3 (BZT-75/25) powders were synthesized by the polymeric precursor method. Samples were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) techniques. Their electronic structures were evaluated by first-principle quantum mechanical calculations based on density functional theory at the B3LYP level. Their optical properties were investigated by ultraviolet-visible (UV-Vis) spectroscopy and photoluminescence (PL) measurements at room temperature. XRD patterns and Rietveld refinement data indicate that the samples have a cubic structure. XANES spectra confirm the presence of pyramidal [TiO5] clusters and octahedral [TiO6] clusters in the disordered BZT-75/25 powders. EXAFS spectra indicate distortion of Ti-O and Ti-O-Ti bonds the first and second coordination shells, respectively. UV-Vis absorption spectra confirm the presence of different optical bandgap values and the band structure indicates an indirect bandgap for this material. The density of states demonstrates that intermediate energy levels occur between the valence band (VB) and the conduction band (CB). These electronic levels are due to the predominance of 4d orbitals of Zr atoms in relation to 3d orbitals of Ti atoms in the CB, while the VB is dominated by 2p orbitals related to O atoms. There was good correlation between the experimental and theoretical optical bandgap values. When excited at 482 nm at room temperature, BZT-75/25 powder treated at 500 C for 2 h exhibited broad and intense PL emission with a maximum at 578 nm in the yellow region. © 2013 Elsevier Ltd. All rights reserved.

Prospecção de enzimas de degradação de materials vegetal em fungos endofíticos

Pós-graduação em Biotecnologia - IQ

Simulação de propriedades espectroscópicas e estruturais de materiais orgânicos para a aplicação em dispositivos

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

Effects of laser beam energy on the pulsed Nd:YAG laser welding of thin sheet corrosion resistant materials

The aim of this study was to value the possibility to join, for pulsed Nd:YAG laser welding, thin foils lap joints for sealing components in corrosive environment. Experimental investigations were carried out using a pulsed neodymium: yttrium aluminum garnet laser weld to examine the influence of the pulse energy in the characteristics of the weld fillet. The pulse energy was varied from 1.0 to 2.5 J at increments of 0.25 J with a 4 ms pulse duration. The base materials used for this study were AISI 316L stainless steel and Ni-based alloys foils with 100 mu m thickness. The welds were analyzed by electronic and optical microscopy, tensile shear tests and micro hardness. The results indicate that pulse energy control is of considerable importance to thin foil weld quality because it can generate good mechanical properties and reduce discontinuities in weld joints. The ultimate tensile strength of the welded joints increased at first and then decreased as the pulse energy increased. In all the specimens, fracture occurred in the top foil heat-affected zone next to the fusion line. The microhardness was almost uniform across the parent metal, HAZ and weld metal. A slight increase in the fusion zone and heat-affected zone compared to those measured in the base metal was observed. This is related to the microstructural refinement in the fusion zone, induced by rapid cooling of the laser welding. The process appeared to be very sensitive to the gap between couples.

Effect of the length of alkyl side chains in the electronic structure of conjugated polymers

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

Sr2CeO4: Electronic and structural properties

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

Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

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

Production and Characterization of Composite Material Useful as a Protective Barrier in Electronic Applications

This work describes the production and characterization of a selective membrane useful for electronic devices. The membrane was a composite made by a thin film of plasma-polymerized HFE (methyl nonafluoro(iso)butyl ether) immersed in plasma-polymerized HMDS (hexamethyldisilazane) film, a third phase being 5 µm starch particles included in this matrix. The film was deposited on silicon substrates and its physical, chemical and adsorption characteristics were determined. Infrared and x-ray photoelectron spectroscopy analyses showed fluorine and carboxyl groups on the bulk and the surface, respectively. SEM results indicate the film is conformal even if starch is present. Optical microscopy analysis showed good resistance toward acid and base solutions. Quartz crystal microbalance indicated adsorption of polar organic compounds on ppm range. This thin film is environment-friendly and can be used as a protective layer or in electronic devices due to adsorption of volatile organic compounds.

Caracterização e aplicação da Blenda PEDOT : PSS/PVA na construção de eletrodos transparentes e dispositivos eletroluminescentes

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Elucidating the optical properties of novel heterolayered materials based on MoTe2-InN for photovoltaic applications

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

Electronic structure calculations of ESR parameters of melanin units

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

Opto-electrical properties of single layer flexible electroluminescence device with ruthenium complex

In this work, a ruthenium hexafluorophosphate complex, [Ru(bpy)(3)](PF6)(2) in poly(methylmethacrylate) (PMMA) was employed to build a single layer light electrochemical cell on indium tin oxide polyester flexible substrate. The electroluminescence spectrum features a relatively broad band peaked near 625 run, with CIE (x,y) color coordinates of (0.61,0.39). The driving voltage is only 3 V, and for the maximum electrical current of 10 mA the brightness reaches 1 cd/m(2). Regarding the useful application of the device, its opto-electrical behavior under mechanical strain was studied considering the central curvature. In these situations, both electrical characterization in DC mode and luminance were analyzed. (C) 2007 Elsevier B.V. All rights reserved.

The Structural and Electronic Properties of Tin Oxide Nanowires: An Ab Initio Investigation

We performed an ab initio investigation on the properties of rutile tin oxide (SnOx) nanowires. We computed the wire properties determining the equilibrium geometries, binding energies, and electronic band structures for several wire dimensions and surface facet configurations. The results allowed us to establish scaling laws for the structural properties, in terms of the nanowire perimeters. The results also showed that the surface states control most of the electronic properties of the nanowires. Oxygen incorporation in the nanowire surfaces passivated the surface-related electronic states, and the resulting quantum properties and scaling laws were fully consistent with electrons confined inside the nanowire. Additionally, oxygen incorporation in the wire surfaces generated an unbalanced concentration of spin up and down electrons, leading to magnetic states for the nanowires.