Influência do lantânio nas propriedades estruturais do SrSnO3

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

Structure and photocatalytic properties of Nb-doped Bi12TiO20 prepared by the oxidant peroxide method (OPM)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

A novel synthesis of perovskite bismuth ferrite nanoparticles

Abstract. Biochar is the solid by-product of biomass pyrolysis. It is a promising soil conditioner and can be a material with high aggregate economic value, since its performance can improve plant’s nutrient utilization and reduce the usage of conventional fertilizers. Biochar can be used in the formulation of new types of fertilizers as polymeric microbeads. These microbeads can be enriched with biochar and nutrients in its matrix to form fertilizers of slow release of nutrients. Thus, as a promising agricultural material, it is important to assess the environmental hazards caused by the implementation of these microbeads. In this context, seeds were sown in a soil-less Petri dish with microbeads produced with biochar from sugarcane enriched with or without phosphate. The seeds germination and its vitality were evaluated by the first germination count (FGC) and the germination speed index (GSI). The short-term effects showed that the microbeads, in general, assessed by the means of FGC, GSI and mass gain showed the best performance, suggesting that the environment created by these materials provided the best chemical and physical interaction with the embryonic axes.

One-step glycerol oxidehydration to acrylic acid on multifunctional zeolite catalysts

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Carbon-supported TiO2-Au hybrids as catalysts for the electrogeneration of hydrogen peroxide: Investigating the effect of TiO2 shape

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

In silico infrared and Raman spectroscopy under pressure: The case of CaSnO3 perovskite

The CaSnO3 perovskite is investigated under geochemical pressure, up to 25 GPa, by means of periodic ab initio calculations performed at B3LYP level with local Gaussian-type orbital basis sets. Structural, elastic, and spectroscopic (phonon wave-numbers, infrared and Raman intensities) properties are fully characterized and discussed. The evolution of the Raman spectrum of CaSnO3 under pressure is reported to remarkably agree with a recent experimental determination [J. Kung, Y. J. Lin, and C. M. Lin, J. Chem. Phys. 135, 224507 (2011)] as regards both wave-number shifts and intensity changes. All phonon modes are symmetry-labeled and bands assigned. The single-crystal total spectrum is symmetry-decomposed into the six directional spectra related to the components of the polarizability tensor. The infrared spectrum at increasing pressure is reported for the first time and its main features discussed. All calculations are performed using the CRYSTAL14 program, taking advantage of the new implementation of analytical infrared and Raman intensities for crystalline materials. (C) 2015 AIP Publishing LLC.

Modeling the crystallographic structure of Ho(Ni,Co,Mn)O3±δ perovskite-type manganite

Crystallographic and microstructural properties of Ho(Ni,Co,Mn)O3± perovskite-type multiferroic material are reported. Samples were synthesized with a modified polymeric precursor method. The synchrotron X-ray powder diffraction (SXRPD) technique associated to Rietveld refinement method was used to perform structural characterization. The crystallographic structures, as well as microstructural properties, were studied to determine unit cell parameters and volume, angles and atomic positions, crystallite size and strain. X-ray energies below the absorption edges of the transition metals helped to determine the mean preferred atomic occupancy for the substituent atoms. Furthermore, analyzing the degree of distortion of the polyhedra centered at the transitions metal atoms led to understanding the structural model of the synthesized phase. X-ray photoelectron spectroscopy (XPS) was performed to evaluate the valence states of the elements, and the tolerance factor and oxygen content. The obtained results indicated a small decrease distortion in structure, close to the HoMnO3 basis compound. In addition, the substituent atoms showed the same distribution and, on average, preferentially occupied the center of the unit cell.