Search results for "Powder diffraction"
showing 10 items of 243 documents
Blue-luminescent organic lead bromide perovskites: highly dispersible and photostable materials
2015
The preparation of a blue-luminescent and photostable organic–inorganic hybrid perovskite with an X-ray powder diffraction spectrum consistent with a two-dimensional inorganic framework is reported. This perovskite can be produced with a high reaction yield and valuable optical properties, such as luminescence quantum yield over 20%, radiative rate constant of up to 80 × 106 s−1, and high photostability under UV light. This material remains stable as a solid, is toluene-dispersible, and can be reverted reversibly into its precursors by using dimethylformamide (DMF). Moreover, the DMF dispersion can be injected into toluene to produce a nanomaterial or be used to prepare films by spin-coatin…
Multi-temperature synchrotron PXRD and physical properties study of half-Heusler TiCoSb.
2010
Phase pure samples of the half-Heusler material TiCoSb were synthesised and investigated. Multi-temperature synchrotron powder X-ray diffraction (PXRD) data measured between 90 and 1000 K in atmospheric air confirm the phase purity, but they also reveal a decomposition reaction starting at around 750 K. This affects the high temperature properties since TiCoSb is semiconducting, whereas CoSb is metallic. Between 90 K and 300 K the linear thermal expansion coefficient is estimated to be 10.5 × 10(-6) K(-1), while it is 8.49 10(-6) K(-1) between 550 K and 1000 K. A fit of a Debye model to the Atomic Displacement Parameters obtained from Rietveld refinement of the PXRD data gives a Debye tempe…
Rietveld refinement study of vanadium distribution in V+4–ZrSiO4 solid solutions obtained from gels
2002
Abstract Vanadium-containing zircon gel precursors with nominal compositions Vx–ZrSiO4 with x=0.0, 0.004, 0.01, 0.04 and 0.2 were prepared by a previously reported colloidal sol-gel technique and annealed for 30 h at 1400 °C. The Rietveld refinement of the structures by X-ray powder diffraction confirms previous results concerning the limit of solubility of V+4 in the zircon structure. The new finding regarding with the entry of V+4 in the Zr+4 site for zircon doped with high contents of vanadium is in accordance with reported results.
Crystal structures of superconducting sodium intercalates of hafnium nitride chloride
2006
Sodium intercalation compounds of HfNCl have been prepared at room temperature in naphtyl sodium solutions in tetrahydrofuran and their crystal structure has been investigated by Rietveld refinement using X-ray powder diffraction data and high-resolution electron microscopy. The structure of two intercalates with space group Rm and lattice parameters a = 3.58131(6) A u , c = 57.752(6) A u , and a = 3.58791(8) A u , c = 29.6785(17) A u is reported, corresponding to the stages 2 and 1, respectively, of NaxHfNCl. For the stage 2 phase an ordered model is presented, showing two crystallographically independent (HfNCl) units with an alternation of the Hf-Hf interlayer distance along the c-axis, …
Synthesis and crystal structure of the α polytype of HfNBr
2002
Abstract α-HfNBr has been prepared at 760 °C in a sealed evacuated fused silica tube by reaction between NH4Br and Hf followed by purification through chemical vapour transport under a temperature gradient. The crystal structure of this compound at room temperature has been determined for the first time by Rietveld refinement of X-ray powder diffraction data, electron diffraction and high resolution electron microscopy. It crystallises in the orthorhombic space group Pmmn with the unit cell parameters a=4.1165(2), b=3.5609(2), c=8.6440(3) A. α-HfNBr is isotypic to FeOCl and is built from layers of composition BrHfNNHfBr stacked along c that are separated by a Van der Waals gap. The haf…
X-ray powder diffraction and LIESST-effect of the spin transition material [Fe(bpp)2](NCS)2·2H2O
2006
Abstract We have studied the X-ray powder diffraction of the spin transition material [Fe(bpp)2](NCS)2 · 2H2O (bpp: 2,6-bis(pyrazol-3-yl)pyridine) at room temperature. Two crystallographic phases have been observed depending on the sample history of this material. The results obtained corroborate the earlier observations from magnetic and calorimetric studies. Relatively prolonged exposure of the sample to X-rays caused a structural change. LIESST and Reverse-LIESST effects, characterised by 57Fe Mossbauer spectroscopy, have been observed in this material.
Mechanism of Formation of TiO2-Doped Mullites from Heated Single-Phase Gels Investigated by Structural and Microstructural Parameters
2008
An analysis of the microstructure of TiO 2 -doped mullites prepared from monophasic gels thermally treated in the temperature range 900°-1600°C is reported. Two series of gels with nominal compositions 3(Al 2-x Ti x O 3 ) ·2(SiO 2 ) and 2(Al 2-x Ti x O 3 )·(SiO 2 ), in the range 0≤x≤0.15, were prepared. X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) were used to follow the structural and textural evolution from gels to the final doped mullites. The crystallite sizes and microstrains were determined by linewidth refinements of XRD patterns using the integral breadth method of Langford and the Warren-Averbach analysis. XRD patterns showed the formation of Al 2 TiO 5 and…
Hydroformylation of 1-Hexene over Rh/Nano-Oxide Catalysts
2013
The effect of nanostructured supports on the activity of Rh catalysts was studied by comparing the catalytic performance of nano- and bulk-oxide supported Rh/ZnO, Rh/SiO₂ and Rh/TiO₂ systems in 1-hexene hydroformylation. The highest activity with 100% total conversion and 96% yield of aldehydes was obtained with the Rh/nano-ZnO catalyst. The Rh/nano-ZnO catalyst was found to be more stable and active than the corresponding rhodium catalyst supported on bulk ZnO. The favorable morphology of Rh/nano-ZnO particles led to an increased metal content and an increased number of weak acid sites compared to the bulk ZnO supported catalysts. Both these factors favored the improved catalytic performan…
Data on phase and chemical compositions of black sands from “El Ostional” beach situated in Mompiche, Ecuador
2020
Abstract Data revealing the phase and chemical compositions of natural black sands from “El Ostional” beach, located in the northern Ecuadorian Pacific coast have been presented. The samples were collected from six points over the shore area of approximately 500 × 40 m2. The data on crystalline phases (iron titanium oxide, orthoclase feldspar and zircon) were determined by X-ray powder diffraction (XRPD), while semi-quantitative chemical analyses of major (Fe and Ti) and trace elements were obtained by X-ray fluorescence spectroscopy (XRF). The phase composition was verified by scanning electron microscopy (SEM), using backscattered electron (BSE) mode and energy dispersive spectroscopy (ED…
Microwave synthesis of yttria stabilized zirconia
2005
Yttria stabilised zirconia (YSZ) nanocrystals, with a mean size between 5 and 10 nm, were prepared by microwave flash synthesis. Flash synthesis was performed in alcoholic solutions of yttrium, zirconium chloride and sodium ethoxide (EtONa) using a microwave autoclave (RAMO system) specially designed by authors. Energy dispersive X-ray analysis (EDX), X-ray powder diffraction (XRD), BET adsorption technique, photon correlation spectroscopy (PCS) transmission and scanning electron microscopy (TEM and SEM) are used to characterized these nanoparticles. Compared with conventional synthesis, nanopowders can be produced in a short period (e.g. 10 s), both high purity and stoechiometric control a…