Search results for "zirconium"
showing 10 items of 303 documents
Structural Infrared Analysis of Ultra Nanosized Crystals of Yttria-Stabilized Zirconia
2017
This paper describes the characterization of ultra nanosized crystals as monoclinic, tetragonal, cubic or mixed phases of ZrO2. Nanopowders are produced using the microwave method, which allows control of the ratio of zirconium to yttrium to yield various crystallographic structures. The synthesized ultra nanosized particles have very broad XRD peaks. In particular, the similarity of the XRD peaks of tetragonal and cubic nanocrystals makes it difficult to distinguish between these two crystals. In this paper, tetragonal and cubic nanocrystals were clearly distinguished using infrared spectroscopy (IR). An infrared spectroscopic method to quantitatively analyse the percentage distribution be…
The stoichiometry of blue vanadium doped zircon obtained by sol-gel methods
1992
Abstract In this study, Sol-Gel processes in aqueous solution were used to investigate the stoichiometry of the V/1bZrSiO 4 solid solutions achieved by this method. Compositions with a formal stoichiometric defect in: (a) ZrO 2 ([ZrO 2 ] 1−2x [SiO 2 ] [V 2 O 5 ] x ), and (b) in SiO 2 ([ZrO 2 ] [SiO 2 ] 1−2x [V 2 O 5 ] x ), x=0.02, 0.04, 0.05 and 0.10 have been prepared. X Ray Diffraction analyses in fired samples (1200°/3 days) showed that cristobalite and monoclinic zirconia appear as residual crystalline phase in (a) and (b) compositions respectively, except in sample (a) with x=0.02 in which no residual phase was detected and therefore is considered stoichiometric. This sample and sample…
Facile synthesis and characterization of monocrystalline cubic ZrO2 nanoparticles
2007
Abstract Crystalline ZrO2 nanoparticles were prepared from zirconium isopropoxide by slow hydrolysis and subsequent hydrothermal treatment of solutions containing various amounts of sodium hydroxide at 180 °C. Whereas moderately basic solutions lead to the formation of nanoparticles of monoclinic ZrO2 with plate-like morphology, and nanoparticles of the cubic ZrO2 high-temperature polymorph with diameters of approx. 5 nm were obtained from strongly basic solutions. The morphology, structure and properties of as-synthesized nanoparticles were characterized using HRTEM, XRD, Raman spectroscopy, UV–vis, PL spectroscopy and BET measurements. The formation of both, the monoclinic and the cubic p…
Highly Enantioselective Friedel−Crafts Alkylations of Indoles with Simple Enones Catalyzed by Zirconium(IV)−BINOL Complexes
2007
Complexes of BINOL-based ligands with Zr(OtBu)4 catalyze the Friedel-Crafts alkylation reaction of indoles and pyrrole with nonchelating beta-substituted alpha,beta-enones at room temperature affording the expected products with good yields and ee above 95% in most of the studied examples.
ChemInform Abstract: Facile Synthesis and Characterization of Monocrystalline Cubic ZrO2Nanoparticles.
2008
Abstract Crystalline ZrO2 nanoparticles were prepared from zirconium isopropoxide by slow hydrolysis and subsequent hydrothermal treatment of solutions containing various amounts of sodium hydroxide at 180 °C. Whereas moderately basic solutions lead to the formation of nanoparticles of monoclinic ZrO2 with plate-like morphology, and nanoparticles of the cubic ZrO2 high-temperature polymorph with diameters of approx. 5 nm were obtained from strongly basic solutions. The morphology, structure and properties of as-synthesized nanoparticles were characterized using HRTEM, XRD, Raman spectroscopy, UV–vis, PL spectroscopy and BET measurements. The formation of both, the monoclinic and the cubic p…
Magnesium chloride modified with organoaluminium compounds as a support of the zirconocene catalyst for ethylene polymerisation
2004
Abstract This work describes the influence of the modification of the MgCl2(THF)2 and MgCl2 magnesium supports with the AlEt2Cl, MAO, AlEt3, AlMe3, and AlEt2Cl alkylaluminium compounds on heterogenisation of the bis(cyclopentadienyl) zirconium(IV) dichloride Cp2ZrCl2 catalyst. It was found that only the MgCl2(THF)2 support modified with AlEt2Cl gave the heterogeneous catalyst. On the contrary, application of a magnesium carrier modified by AlEt3, AlMe3, and MAO compounds only results in a homogeneous zirconocene catalyst.
Influence of the preparation method on the activity of ceria zirconia mixed oxides for naphthalene total oxidation
2013
Cerium/zirconium mixed oxides, with different Ce/Zr ratios, have been synthesised by a co-precipitation method using two different precipitating agents (sodium carbonate and urea) and tested for the total oxidation of naphthalene. Catalysts were characterized by N2 adsorption, XRD, Raman, TPR, XPS and DRIFTS. Ceria prepared by carbonate precipitation had low activity and this is likely to be related to the high concentration of residual surface carbonate that covers catalytic sites and inhibits reaction. For carbonate precipitation, increasing the Zr content to 1% resulted in a significant increase of activity, which is related to the decrease of surface carbonate. Increasing the Zr content…
Y:BaZrO3 Perovskite Compounds I: DFT Study on the Unprotonated and Protonated Local Structures
2011
Y-doped BaZrO(3) derivatives were studied by density functional theory (DFT) to investigate the local arrangements of the octahedral sites in Pm3m cubic frameworks. Single- and double substitution of zirconium by yttrium were considered, including in the presence of a nearby oxygen vacancy. Although the structural symmetry of undoped barium zirconate was not modified after yttrium doping, the presence of yttrium induced several differences in the oxygen sites around it, according to the local geometrical arrangement of yttrium in the host matrix. As an example, the differences between such oxygen sites were shown in the presence of a proton. In this case, different stabilization energies ch…
Y:BaZrO 3 Perovskite Compounds II: Designing Protonic Conduction by using MD Models
2011
The proton dynamics in Y-doped BaZrO(3) derivatives, in particular the different dopant environments within a Pm3m cubic framework, were studied by using classical molecular dynamics (MD) calculations. Single- and double substitution of zirconium by yttrium atoms was considered. The presence of yttrium induced variations in the surrounding oxygen sites, according to their local geometrical arrangements. The differences among such distinct oxygen sites became evident when protons interacted with them and upon changes in the temperature. So, different proton transfer pathways, which had different energy barriers, characterized the topologically different oxygen sites. The experimental proton-…