Search results for "Solid solution"
showing 10 items of 308 documents
Magnetic properties of Co–Al, Ni–Al, and Mg–Al hydrotalcites and the oxides formed upon their thermal decomposition
2002
The magnetic behaviour of Co–Al, Ni–Al, and Mg–Al hydrotalcites (HTlc) with a M2+/Al3+ molar ratio of 3 and carbonates in the interlayer, as well as the mixed oxides obtained after calcination at 823 K for 5 h, has been investigated by DC and AC magnetic susceptibility measurements and isothermal magnetisation. The samples were also characterised by ICP-OES and XRD. The magnetic measurements show that Co–Al and Ni–Al HTlcs behave as ferromagnets, with ordering temperatures of approximately 6–7 K in both cases, and displaying hysteresis loops at 2 K with coercive fields of 4.2 and 5.5 mT, respectively, whereas the Mg–Al-HTlc shows the expected diamagnetic behaviour. A solid solution of cobal…
Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu2ZnGeSe4–xSx Series of Solid Solutions
2013
Knowledge of structure–property relationships is a key feature of materials design. The control of thermal transport has proven to be crucial for the optimization of thermoelectric materials. We report the synthesis, chemical characterization, thermoelectric transport properties, and thermal transport calculations of the complete solid solution series Cu_2ZnGeSe_(4–x)S_x (x = 0–4). Throughout the substitution series a continuous Vegard-like behavior of the lattice parameters, bond distances, optical band gap energies, and sound velocities are found, which enables the tuning of these properties adjusting the initial composition. Refinements of the special chalcogen positions revealed a chang…
Resolving the true band gap of ZrNiSn half-Heusler thermoelectric materials
2015
N-type XNiSn (X = Ti, Zr, Hf) half-Heusler (HH) compounds possess excellent thermoelectric properties, which are believed to be attributed to their relatively high mobility. However, p-type XNiSn HH compounds have poor figures of merit, zT, compared to XCoSb compounds. This can be traced to the suppression of the magnitude of the thermopower at high temperatures. E_g = 2eS_(max)T_(max) relates the band gap to the thermopower peak. However, from this formula, one would conclude that the band gap of p-type XNiSn solid solutions is only one-third that of n-type XNiSn, which effectively prevents p-type XNiSn HHs from being useful thermoelectric materials. The study of p-type HH Zr_(1−x)Sc_xNiSn…
Comparison of Permeation Measurements and Hybrid Density Functional Calculations on Oxygen Vacancy Transport in Complex Perovskite Oxides
2014
The oxygen vacancy (VO••) formation enthalpy (ΔHF) was determined from the effective activation energies obtained in the permeation measurements on a series of solid solutions La0.98–xSrxCo0.2Fe0.8O3−δ (x = 0.125–0.8) and compared with the results of ab initio calculations at finite temperatures based on the hybrid (PBE0) and GGA+U calculations, as well as previous thermogravimetric experiments. The Mulliken atomic charges, magnetic moments, and the Fe-VO•• and Sr-VO•• distances are analyzed. The strong dependence of formation enthalpy of VO•• on the Fe oxidation state due to variation in Sr and VO•• concentrations is discussed.
A Maze of Solid Solutions of Pimobendan Enantiomers: An Extraordinary Case of Polymorph and Solvate Diversity
2017
Over 10 polymorphs and solvatomorphs of the chiral pharmaceutically active ingredient pimobendan were found to lack enantioselectivity in the solid state, accordingly, forming solid solutions of enantiomers, which is reported to be a rare phenomenon. Solid form screening was performed on different enantiomeric composition samples to analyze obtained phases with powder X-ray diffraction and thermogravimetric differential scanning calorimetry. For nonsolvated forms, a melt phase diagram has been constructed convincingly showing the existence of stable and metastable solid solutions near the pure enantiomer and around the racemic composition regions. A crystal structure study combined with sol…
Synthesis of new vanadium–chromium and chromium–molybdenum oxynitrides by direct ammonolysis of freeze-dried precursors
2000
Interstitial vanadium–chromium and chromium–molybdenum oxynitrides in the solid solution series V1 − zCrz(OxNy) and Cr1 − zMoz(OxNy) (z = 0.0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) have been obtained by direct ammonolysis of precursors resulting from the freeze-drying of aqueous solutions of the appropriate metal salts. A study of the influence of the preparative variables on the outcomes of this procedure is presented. Compounds in the V1 − zCrz(OxNy) series are prepared as single phases by nitridation at 1073 K, followed by fast cooling of the samples. Compounds in the Cr1 − zMoz(OxNy) series are prepared as nearly single phases by nitridation at different temperatures, optimized for each composi…
Trace element systematics of tourmaline in pegmatitic and hydrothermal systems from the Variscan Schwarzwald (Germany): The importance of major eleme…
2013
article An extensive data set on the compositional variation of tourmaline from granitic pegmatites, from migmatitic gneisses and from various types of hydrothermal veins from the Schwarzwald, Germany, is provided. The investigated tourmalines are members of the alkali and X-vacant groups representing mostly dravite- schorl solid solutions with some analyses belonging to the foitite-Mg-foitite series. Oxygen isotope data on quartz-tourmaline pairs indicate formation temperatures between 550 and 350 °C for most of the quartz-tourmaline veins. Most of the tourmalines show strong sector zonation, fractionating certain major (e.g., Na, Mg), minor (e.g., Ti, Ca) and trace elements (e.g., Sr, Pb,…
X-ray powder diffraction study of the stability of solid solutions in LaO(Cl1−xBrx)
1997
Abstract The formation of solid solutions in the LaO(Cl 1− x Br x ) series was studied by X-ray powder diffraction (XPD), Rietveld profile refinement and bond valence calculations. The LaO(Cl 1− x Br x ) (0 ≤ x ≤ 1, step 0.2, and x = 0.5) powder samples were prepared by the solid state reaction between La 2 O 3 and a mixture of ammonium chloride and bromide. The X-ray powder diffraction patterns were collected at room temperature between 5 and 125° in 2Θ using Cu K α 1 radiation (λ = 1.5406 A). The XPD data between 20 and 90° were analyzed with the DBWS-9006PC Rietveld profile refinement program. All the LaO(Cl 1− x Br x ) phases studied crystallize in the tetragonal PbFCl-type structure wi…
Structural and magnetic properties of the solid solution series Sr2Fe1–xMxReO6(M = Cr, Zn)
2005
Strong correlations between the electronic, structural and magnetic properties have been found during the study of doped double perovskites Sr2Fe1−xMxReO6 (0 ≤ x ≤ 1, M = Zn, Cr). The interplay between the van Hove singularity and the Fermi level plays a crucial role for the magnetic properties. Cr doping of the parent compound Sr2FeReO6 leads to a non-monotonic behaviour of the saturation magnetization and an enhancement for doping levels up to 10%. The Curie temperatures monotonically increase from 401 to 616 K. In contrast, Zn doping leads to a continuous decrease in the saturation magnetization and the Curie temperatures. Superimposed on the electronic effects is the structural influenc…
Heat-induced charge transfer in cobalt iron cyanide
2006
The heating of Co(2+) ferricyanide above 801C induces an inner charge transfer from Co(2+) towards Fe(III) to form the mixed valence system Co(2+)Co(III) ferri- ferro-cyanide. This charge transfer takes place preserving the material framework and forming a solid solution of the initial and final species. The cell edge of the cubic cell (Fm-3m) of this solid solution follows a regular variation with