Absorption and fluorescence of Er3+-doped LiYF4: Measurements and simulation

Er3+:LiYF4 single crystal has been studied by absorption and fluorescence spectroscopy in the IR-visible-UV (0-44000 cm-1) region from 4.2 K to room temperature. Polarized spectra were recorded in order to assign numerous Stark levels of electronic transitions mentioned but not attributed before in the related literature and to discuss the irreducible representations (irreps) of the 4I15/2 sublevels. A parametric hamiltonian, including free ion (Eν, α, β, γ, Tλ, ζ, Mk and Pi) and crystal field parameters (B2 0, B4 0, B4 4, B6 0 and B6 4) in an approximate D2d symmetry for the rare earth site in this scheelite type structure, was used to simulate 109 energy positions of the Er ion with a r.m.s. standard deviation of 14.6 cm-1. A comparison with previously published results for Nd3+ in the same matrix is done. © 1998 Elsevier Science S.A.

Synthesis and spectroscopic characterization of new metal(II) complexes with methionine sulfoxide

Methionine sulfoxide complexes of iron(II) and copper(II) were synthesized and characterized by chemical and spectroscopic techniques. Elemental and atomic absorption analyses fit the compositions K2[Fe(metSO) 2]SO4 · H2O and [Cu(metSO)2] · H2O. Electronic absorption spectra of the complexes are typical of octahedral geometries. Infrared spectroscopy suggests coordination of the ligand to the metal through the carboxylate and sulfoxide groups. An EPR spectrum of the Cu(II) complex indicates tetragonal distortion of its octahedral symmetry. 57Fe Mössbauer parameters are also consistent with octahedral stereochemistry for the iron(II) complex. The complexes are very soluble in water.

Four new metal complexes with the amino acid deoxyalliin

The solid complexes [Co(C6H10NO2S) 2], [Ni(C6H10NO2S)2], [Cu(C6H10NO2S)2] and [Fe(C 6H10NO2S)2] were obtained from the reaction of cobalt(II), nickel(II), copper(II) and iron(II) salts with the potassium salt of the amino acid deoxyalliin (S-allyl-L-cysteine). Electronic absorption spectra of the complexes are typical of octahedral structures. Infrared spectroscopy confirms the ligand coordination to the metal ions through (COO-) and (NH2) groups. EPR spectrum of the Cu(II) complex indicates a slight distortion of its octahedral symmetry. Mössbauer parameters permitted to identify the presence of iron(II) and iron(III) species in the same sample, both of octahedral geometry. Thermal decomposition of the complexes lead to the formation of CoO, NiO, CuO and Fe2O3 as final products. The compounds show poor solubility in water and in the common organic solvents. ©2005 Sociedade Brasileira de Química.

Antimony glasses with large nonlinear refractive indices, small two-photon absorption coefficients and ultrafast response at telecom wavelengths

Nonlinear (NL) optical properties of antimony oxide based glasses (AG) were characterized for excitation wavelengths from 800 to 1600 m. The NL refractive indices, n2, and the two-photon absorption (TPA) coefficient, β, have been evaluated using the Z-scan technique. Values of n2≈ 10-15 - 10-14 cm2/W of electronic origin were measured and negligible TPA coefficients (β < 0.003 cm/GW) were determined. The response time of the nonlinearity is faster than 100 fs as determined using the Kerr shutter technique. The figure-of-merit usually considered for all-optical switching, T = 2βλ/n2 , indicates that AG are very good materials for ultrafast switches at telecom wavelengths. © 2007 IEEE.

On the bound-state spectrum of a nonrelativistic particle in the background of a short-ranged linear potential

The nonrelativistic problem of a particle immersed in a triangular potential well, set forth by N. A. Rao and B. A. Kagali, is revised. It is shown that these researchers misunderstood the full meaning of the potential and obtained a wrong quantization condition. By exploring the space inversion symmetry, this work presents the correct solution to this problem with potential applications in electronics in a simple and transparent way. © Electronic Journal of Theoretical Physics. All rights reserved.

Altering the adsorptive and electronic properties of Pt through poly(vinyl alcohol) adsorption

In the present paper we investigated the effect of adsorbed PVA on Pt electrodes on classic electrochemical processes such as hydrogen UPD, oxygen reduction and CO electro-oxidation. Upon adsorption PVA blocks roughly 50% of the hydrogen sites and can not be removed from the Pt surface through cycling in the potential range of 0.05-1.0 V vs. RHE. Potentiodynamic experiments under controlled hydrodynamic conditions provided by rotating disk electrode experiments showed a negative impact of the adsorbed PVA on the oxygen reduction reaction (ORR). Cyclic-voltammetry results revealed that not even CO was able to remove PVA from the Pt surface. Regarding the oxidation of CO, the adsorbed polymer positively shifted the CO oxidation peak potential, therefore higher potentials are required to free the Pt surface from CO poisoning. In situ Fourier transform infrared spectroscopy evidenced that the presence of PVA shifted the linearly bound CO frequency toward higher wavenumbers, a process found to be independent of the Pt surface orientation. In situ electrochemical X-ray absorption spectroscopy results showed that PVA also impacted the electronic properties of platinum by decreasing the occupancy of the Pt conducting 5d band. Our findings clearly support the efforts toward understanding the nature of the interaction between polymers and metallic surfaces as well as the impact on technological applications (e.g. in PEMFCs). © 2013 Elsevier Ltd. All rights reserved.

Signal classification of submerged aquatic vegetation based on the hemispherical-conical reflectance factor spectrum shape in the yellow and red regions

The water column overlying the submerged aquatic vegetation (SAV) canopy presents difficulties when using remote sensing images for mapping such vegetation. Inherent and apparent water optical properties and its optically active components, which are commonly present in natural waters, in addition to the water column height over the canopy, and plant characteristics are some of the factors that affect the signal from SAV mainly due to its strong energy absorption in the near-infrared. By considering these interferences, a hypothesis was developed that the vegetation signal is better conserved and less absorbed by the water column in certain intervals of the visible region of the spectrum; as a consequence, it is possible to distinguish the SAV signal. To distinguish the signal from SAV, two types of classification approaches were selected. Both of these methods consider the hemispherical-conical reflectance factor (HCRF) spectrum shape, although one type was supervised and the other one was not. The first method adopts cluster analysis and uses the parameters of the band (absorption, asymmetry, height and width) obtained by continuum removal as the input of the classification. The spectral angle mapper (SAM) was adopted as the supervised classification approach. Both approaches tested different wavelength intervals in the visible and near-infrared spectra. It was demonstrated that the 585 to 685-nm interval, corresponding to the green, yellow and red wavelength bands, offered the best results in both classification approaches. However, SAM classification showed better results relative to cluster analysis and correctly separated all spectral curves with or without SAV. Based on this research, it can be concluded that it is possible to discriminate areas with and without SAV using remote sensing. © 2013 by the authors; licensee MDPI, Basel, Switzerland.

A combined theoretical and experimental study of electronic structure and optical properties of β-ZnMoO4 microcrystals

In this paper, a combined theoretical and experimental study on the electronic structure and photoluminescence (PL) properties of beta zinc molybdate (β-ZnMoO4) microcrystals synthesized by the hydrothermal method has been employed. These crystals were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, Fourier transform Raman (FT-Raman) and Fourier transform infrared (FT-IR) spectroscopies. Their optical properties were investigated by ultraviolet-visible (UV-Vis) absorption spectroscopy and PL measurements. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level have been carried out. XRD patterns, Rietveld refinement, FT-Raman and FT-IR spectra showed that these crystals have a wolframite-type monoclinic structure. The Raman and IR frequencies experimental results are in reasonable agreement with theoretically calculated results. UV-Vis absorption measurements shows an optical band gap value of 3.17 eV, while the calculated band structure has a value of 3.22 eV. The density of states indicate that the main orbitals involved in the electronic structure of β-ZnMoO4 crystals are (O 2p-valence band and Mo 4d-conduction band). Finally, PL properties of β-ZnMoO4 crystals are explained by means of distortions effects in octahedral [ZnO6] and [MoO6] clusters and inhomogeneous electronic distribution into the lattice with the electron density map. © 2013 Elsevier Ltd. All rights reserved.

Effect of chemical modifications on the electronic structure of poly(3-hexylthiophene)

The widespread use of poly(3-hexylthiophene) (P3HT) in the active layers of organic solar cells indicates that it possesses chemical stability and solubility suitable for such an application. However, it would be desirable to have a material that can maintain these properties but with a smaller bandgap, which would lead to more efficient energy harvesting of the solar spectrum. Fifteen P3HT derivatives were studied using the Density Functional Theory. The conclusion is that it is possible to obtain compounds with significantly smaller bandgaps and with solubility and stability similar to that of P3HT, mostly through the binding of oxygen atoms or conjugated organic groups to the thiophenic ring. © 2013 Wiley Periodicals, Inc.

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.

Efeitos do glyphosate sobre o crescimento e absorção de fósforo pela soja

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Influência da associação de filtros solares sobre a estabilidade, liberação, permeação e retenção cutânea do p-metoxicinamato de octila em formulações fotoprotetoras

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo das características de tamanho de gotas de bicos de pulverização de energia centrífuga e hidráulica na cultura do algodoeiro

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Desenvolvimento de sistemas nanoestruturados estabilizados com álcool cetilico etoxilado e propoxilado contendo fluconazol potencialmente ativo contra esporotricose

Pós-graduação em Ciências Farmacêuticas - FCFAR

Efeito fotocrômico em Ormosil's dopados com molibdênio preparados por síntese de Sol-Gel

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)