Publications

Postsynthetic modification of [Cu2(mand)2(hmt)] (mand=mandelic acid, hmt=hexamethylenetetramine) with a chiral, dimeric chromium(III)salen complex led to a robust structure. Characterization of this new material showed that it perfectly preserved the textural and structural properties of the parent metalorganic framework (MOF). Although epoxidation of trans-methyl cinnamate with hydrogen peroxide led to copper leaching of 23%, experiments performed with N-methylmorpholine-N-oxide indicated no leaching, even after 72h of exposure. The obtained chiral MOF is an effective catalyst for the enantioselective epoxidation of trans-methyl cinnamate and leads to (2R,3S)-phenylglycidate with a high enantiomeric excess at room temperature.

Lead-free piezoelectric (Bi0.5Na0.5)(0.92)Ba0.08TiO3, (abbreviated as BNT-BT0.08) wires were prepared using its corresponding precursor sol and, a polycarbonate template membrane. The polycarbonate membrane used has a thickness of 30 mu m and pore diameter of 300 nm. Uniform surface morphology of the wires with average diameter of 145 nm and a length of about 20 mu m was obtained when the concentration of the sol was 0.3 M. The ferroelectric and piezoelectric properties of an individual BNT-BT0.08 wire were investigated using the PFM technique. The hysteresis loops between the PFM phase and DC bias and, the characteristic butterfly loops of the PFM amplitude versus DC bias, indicated a ferroelectric and piezoelectric behavior of as-obtained BNT-BT0.08 wires.

The topological transition from order to disorder in crystalline silicon was investigated by a computer simulation procedure. The gradually introduction of topological WootenWinerWeaire defect states makes the crystal change in a more and more disordered assembly of atoms. The characterization of deformation energy around a single defect state is analyzed. The topological transition from graphene structure to an amorphous carbon layer, by introduction of a high number of StoneWales defect-type states was evidenced. The comparison of the disordered structure in tetrahedrally bonded semiconductors (silicon) and a two-dimensional network based on graphene structure was made.

Cobalt environment and magnetic defects nature in hydrothermal synthesized anatase CoxTi1-xO2 nanopowders (0 <= x = 0.05, while the rest of the Co atoms gather into Co3O4 clusters. As found by electron paramagnetic resonance, the Co doping brings about hole-and electron-excess defects. (C) 2013 AIP Publishing LLC [http://dx.doi.org/10.1063/1.4802819]

Electrochemical deposition from a solution containing zinc and samarium ions, leads to a samarium oxide/zinc oxide sandwich-like structure with an intense, visible, broad luminescence peak centered at 550 nm. The successive deposition of the two materials is related to the bath composition and overpotential, taking place for values higher than a certain threshold. The zinc oxide film, first one to be deposited, presents typical hexagonal prism morphology while samaria coating films present a porous, nanowall like structure. The photoluminescence emission is at least 10 times more intense than in the case of typical electrodeposited ZnO films of similar thickness and does not appear in Sm2O3 films electrodeposited from solutions containing only Sm ions. Samples prepared in different conditions were characterized from the point of view of composition, structure, morphology and optical properties. The characteristics of the emission spectra of the films make them interesting for solid state lightning applications. (c) 2013 Elsevier Ltd. All rights reserved.

Arrays of microlenses have been created on the surface of thin amorphous films of As2S3 by localized photoexpansion induced by femtosecond laser pulses. The profile of a typical microlens has been mathematically described. Ray-tracing analysis has been performed to determine the focal points in the red and near-infrared spectrum of electromagnetic radiation. These lie at distances of 1.21m at =650nm and 1.33m at =1.5m above the top of the microlens. It is suggested that the microlenses could be used in two-dimensional optoelectronic circuits or in fibre optics.

The aim of this study was to obtain a novel hydroxyapatite-based material with high biocompatibility. The structural properties of the samples were well characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and X-ray Photoelectron Spectroscopy (XPS). The X-ray diffraction studies revealed the characteristic peaks of hydroxyapatite in each sample. Other phases or impurities were not observed. The scanning electron microscopy observations suggest that the doping components have no influence on the surface morphology of the samples, which reveals a homogeneous aspect of the synthesized particles for all samples. The presence of calcium (Ca), phosphor (P), oxygen (O) and silver (Ag) in the Ag:HAp is confirmed by energy dispersive X-ray (EDAX) and X-ray Photoelectron Spectroscopy analyses. Nanocrystalline silver doped HAp stimulated viability and potentiated the activation of murine macrophages. (C) 2012 Elsevier B.V. All rights reserved.

In this work, ZnO films, nanorod and nanorod/shell arrays were synthesized on the surface of PET-ITO electrodes by electrochemical methods. ZnO films with high optical transmittance were prepared from a zinc nitrate solution using a pulsed current technique with a reduced pulse time (3 s). The X-ray diffraction pattern of ZnO film deposited on PET-ITO electrode showed that it has a polycrystalline structure with preferred orientations in the directions [0 0 2] and [1 03]. ZnO nanorods were synthesized on electrochemical seeded substrate in an aqueous solution containing zinc nitrate and hexamethylenetetramine. In order to increase the stability of PET-ITO electrode to electrochemical and chemical stresses during ZnO nanorods deposition the surface of the electrode was treated with a 17 wt% NH4F aqueous solution. Electrochemical stability of PET-ITO electrode was evaluated in a solution containing nitrate ions and hexamethylenetetramine. ZnO nanorod/shell arrays were fabricated using eosin Y as nanostructuring agent. Photoluminescence spectra of ZnO nanorod and ZnO nanorod/shell arrays prepared on the surface of PET-ITO electrode were discussed comparatively. By employing the 1.5 mu m-length ZnO nanorod/shell array covered with a Cu2O film a photovoltaic device was fabricated on the PET-ITO substrate. (C) 2012 Elsevier Ltd. All rights reserved.

A new phenomenological approach describing the dependence of the strain diffraction line breadth on direction in both crystal and sample is presented. For a negligibly small dependence on the direction in the sample, these models reduce to those for anisotropic strain broadening that already exist in the literature and which are implemented in popular Rietveld codes. The new model is appropriate for implementation in the Rietveld programs able to process simultaneously diffraction patterns recorded in multiple directions in a sample.

The aim of this study is the preparation and characterization of dense cubic zirconia ceramics and zirconia nanocomposites (reinforced with 5 wt% alumina). The powders were obtained through sol-gel methods and densified using classical sintering and spark plasma sintering (SPS) methods. The obtained ceramics were characterized through X-ray diffraction, scanning electron microscopy and impedance spectroscopy at room and high temperature. The average grain size of cubic zirconia particles was found to be approximately 8 and 2.5 mu m for the classical sintering and 99 nm for SPS. The alumina particles in composites have an average grain size of 0.7 mu m for classical sintering and 53 nm for SPS ones. The total conductivity for nanocomposites sintered through both methods was also determined. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.