Structural refinement, optical and microwave dielectric properties of BaZrO3

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

Leakage current, ferroelectric and structural properties in Pb(1-x)Ba(x)TiO(3) thin films prepared by chemical route

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

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

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Synthesis of wurtzite ZnS nanoparticles using the microwave assisted solvothermal method

In this article, we report the development of an efficient and rapid microwave assisted solvothermal (MAS) method to prepare wurtzite ZnS nanoparticles at 413 K using different precursors. The materials obtained were analyzed by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (MET) ultraviolet-visible (UV-vis) and photoluminescence (PL) measurements. The structure, surface chemical composition and optical properties were investigated as a function of the precursor. In addition, effects as well as merits of microwave heating on the processing and characteristics of ZnS nanoparticles obtained are reported. The possible formation mechanism and optical properties of these nanoparticles were also reported. © 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.

Optical, mechanical and surface properties of amorphous carbonaceous thin films obtained by plasma enhanced chemical vapor deposition and plasma immersion ion implantation and deposition

Diverse amorphous hydrogenated carbon-based films (a-C:H, a-C:H:F, a-C:H:N, a-C:H:Cl and a-C:H:Si:O) were obtained by radiofrequency plasma enhanced chemical vapor deposition (PECVD) and plasma immersion ion implantation and deposition (PIIID). The same precursors were used in the production of each pair of each type of film, such as a-C:H, using both PECVD and PIIID. Optical properties, namely the refractive index, n, absorption coefficient, α, and optical gap, ETauc, of these films were obtained via transmission spectra in the ultraviolet-visible near-infrared range (wavelengths from 300 to 3300 nm). Film hardness, elastic modulus and stiffness were obtained as a function of depth using nano-indentation. Surface energy values were calculated from liquid drop contact angle data. Film roughness and morphology were assessed using atomic force microscopy (AFM). The PIIID films were usually thinner and possessed higher refractive indices than the PECVD films. Determined refractive indices are consistent with literature values for similar types of films. Values of ETauc were increased in the PIIID films compared to the PECVD films. An exception was the a-C:H:Si:O films, for which that obtained by PIIID was thicker and exhibited a decreased ETauc. The mechanical properties - hardness, elastic modulus and stiffness - of films produced by PECVD and PIIID generally present small differences. An interesting effect is the increase in the hardness of a-C:H:Cl films from 1.0 to 3.0 GPa when ion implantation is employed. Surface energy correlates well with surface roughness. The implanted films are usually smoother than those obtained by PECVD. ©2013 Elsevier B.V. All rights reserved.

Dye incorporation in polyphosphate gels: synthesis and theoretical calculations

ABSTRACT: In this work we described theoretical calculations on the electronic structure and optical properties of the dyes crystal violet and malachite green based in semiempirical methods (Parametric Method 3 and Intermediate Neglect of Differential Overlap / Spectroscopic - Configuration Interaction) and the synthesis of a new hybrid material based upon the incorporation of these dyes in an aluminum polyphosphate gel network. The samples are nearly transparent, free-standing thick films. The optical properties of the entrapped dyes are sensitive to chemical changes within the matrix caused either by gel aging or external stimulli such as exposition to acidic and basic vapors that can percolate within the matrix. Our theoretical modeling is in good agreement with the experimental results for the dyes.

Estudo de mecanismos de transporte em nanofios de óxido de índio dopado com estanho

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Structural refinement, optical and electrical properties of [Ba1-x Sm-2x/3](Zr0.05Ti0.95)O-3 ceramics

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Effect of Fe-doping on the structural, microstructural, optical, and ferroeletric properties of Pb1/2Sr1/2Ti1-xFexO3 oxide prepared by spin coating technique

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

Optical spectrum of bottom-up graphene nanoribbons: towards efficient atom-thick excitonic solar cells

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

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. - See more at: http://www.eurekaselect.com/117237/article#sthash.GzvnCBTB.dpuf

Influence of the preparation route on the structural, morphological and spectroscopic properties of SrTiO3 and SrTiO3:eu3+ powders

This research shows the influence of the synthesis route in the structural and morphological characteristics as well as in the luminescent properties of doped with europium and pure SrTiO3 (STO) powders prepared by microwave assisted hydrothermal synthesis, MWH, and by the polymeric precursor method, PPM. The XRD at room temperature of the STO powders nominally pure obtained by PPM at 700°C for 3 hours, as well as by the MWH at 190°C by 30 minutes present all the reflection peaks for the cubic perovskite structure (JCPDS-ICDD 35-734). The morphology varies according to the synthesis route. The particles of pure STO obtained by PPM presents morphology in the form of plates and the morphology of the particles synthesized by MWH is spherical with approximately 150 nm. The photoluminescent analysis shows for pure STO wide bands associated with the transition of charge transfer from the titanates group (TiO3)2- that are centered on 450 nm. In both preparation methods the emission bands obtained in the composites spectra were found to be asymmetric and low intense. However, in the case of the STO prepared by the PPM a bigger FWHM of the band can be observed. The excitation of the samples was done using a laser (Coherent Innova) with wavelength of 350 nm.

Synthesis and characterization of nanostructured TiO2-SnO2 composite

Nanostructured composites based on titanium dioxide have been studied in order to improve optical and photo-catalytic properties, as well as their performance in gas sensors. In this work, titanium and tin dioxides were simultaneously synthesized by the polyol method resulting in TiO2 platelet coated with SnO2 nanoparticles as was observed by scanning electron microscopy. The thermal analysis showed that the combined synthesis promotes more easily the crystallization of the TiO2 rutile phase. The composite obtained after heat treatment at 500 degrees C showed to be formed of almost only rutile phases of both oxides. The optical properties analyzed by UV-Vis spectroscopy showed that the combined oxides have higher absorbance, which reinforces a model found in the literature based on the flow of photo-generated electrons to the conduction band of SnO2 delaying the recombination of charges.

Structural, optical, and magnetic properties of NiMoO4 nanorods prepared by microwave sintering

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