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Infrared-active optical phonons in LiFePO4 single crystals
Infrared-active optical phonons were studied in olivine LiFePO4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm-1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO4 crystal were measured from the delithiated ab-surface of the LiFePO4 crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO4 and FePO4
Effect of Fe3+ Doping in the Photocatalytic Properties of BaSnO3 Perovskite
<div><p>In the last ten years, stannates with perovskite structure have been tested as photocatalysts. In spite of the ability of perovskite materials to accommodate different cations in its structure, evaluation of doped stannates is not a common task in the photocatalysis area. In this work, Fe3+ doped BaSnO3 was synthesized by the modified Pechini method, with calcination between 300 and 800ºC/4 h. The powder precursor was characterized by thermogravimetry after partial elimination of carbon. Characterization after the second calcination step was done by X-ray diffraction, Raman spectroscopy and UV-visible spectroscopy. Materials were tested in the photocatalytic discoloration of the Remazol Golden Yellow azo dye under UVC irradiation. Higher photocatalytic efficiency was observed under acid media. As no meaningful adsorption was observed at this condition we believe that an indirect mechanism prevails. Fe3+ doping decreased the band gap and favored the photocatalytic reaction, which may be assigned to the formation of intermediate levels inside the band gap.</p></div