Search results for "Solid solution"
showing 10 items of 308 documents
Order and disorder in mixed metal linear chains: The homo and heterobimetallic EDTA (M(H2O)4OIOII)[M?(EDTA)] � 6H2O complexes (M = Mg, Mn, Co, Zn and…
1984
Polymetallic solid solutions of the ethylenediaminetetracetic acid (EDTA) and six divalent metal ions exist in the range: MgαMnβCoγZnδNieCuτ(EDTA) · 6H2O where α + β + γ + δ + e + τ=2, 0⩽τ⩽1, 0⩽γ,e,δ⩽2, 0⩽α, β⩽1. This type of structure is characterized by the presence of two different octahedral carboxylate-bridged coordination sites forming infinite zig-zag chains. Visible and i.r. spectra and t.g.a. analysis show that there is occupational preference for the two coordination sites in the crystalline structure. Due to this preference, and also to the structural features, the heterobimetallic MM′(EDTA) · 6H2O compounds constitute a structurally new class of materials which can be described …
Composition and clues to the origin of refractory metal nuggets extracted from chondritic meteorites
2014
Refractory metal nuggets (RMNs) contain elements, such as Os, Ir, Mo, and Ru, which are predicted to condense from a cooling gas of solar composition simultaneously with CAI-minerals. Berg et al. (2009) identified a large number of RMNs in acid-resistant residues of the Murchison meteorite and suggested that they are pristine condensates. In extending the work of these authors, we have improved the chemical extraction process to enrich the concentration of RMNs in the residue sample and prepared three additional RMN-rich residues from the chondritic meteorites Murchison, Allende, and Leoville. The results show that, while their origin is clearly solar, the compositions in detail of RMNs fro…
Spin crossover in solid solution
1980
Abstract The temperature dependent high spin (HS) ⇌ low spin (LS) transition, otherwise called spin crossover, has been well established for many first-row transition metal complexes, particularly for complexes of iron(II) [1]. The phenomenon has been observed mostly in the crystalline state, but also in solution. The spin crossover characteristics have been found to depend on various chemical influences, such as ligand substitution, the nature of the non-coordinating anion and the crystallizing solvent. It has been shown by 57Fe Mossbauer spectroscopy that the spin crossover behaviour in the solid solutions of [FexZn1−x(2-pic)3] Cl2·EtOH (2-pic = 2-picolylamine) is also susceptible to meta…
Synergistic effects of multiwalled carbon nanotubes and Al on the electrochemical hydrogen storage properties of Mg2Ni-type alloy prepared by mechani…
2012
Abstract Mg 2− x Al x Ni ( x = 0, 0.25) electrode alloys with and without multiwalled carbon nanotubes (MWCNTs) have been prepared by mechanical alloying (MA) under argon atmosphere at room temperature using a planetary high-energy ball mill. The microstructures of synthesized alloys are characterized by XRD, SEM and TEM. XRD analysis results indicate that Al substitution results in the formation of AlNi-type solid solution that can interstitially dissolve hydrogen atoms. In contrast, the addition of MWCNTs hardly affects the XRD patterns. SEM observations show that after co-milling with 5 wt. % MWCNTs, the particle sizes of both Mg 2 Ni and Mg 1.75 Al 0.25 Ni milled alloys are decreased e…
X-ray absorption spectroscopy studies of the off-center Ni2+ions in Ni c Mg 1-c O solid solutions
1996
In this work we present the x-ray absorption spectroscopy study of NicMg1-cO (0.01 <EQ c <EQ 1) solid solutions. The extended x-ray absorption fine structure (EXAFS) above the Ni K-edge was analyzed using the multi-shell fitting procedure. It was found that nickel ions are located in a distorted environment and shift upon dilution to the off- center positions. This fact follows from two main results: (1) in the first shell, the average Ni- O distance increases linearly upon dilution; (2) in the second shell, the average Ni-Ni distance remains unchanged and decreases slightly at low nickel concentration while the dependence of the Ni-Mg distance has a break at c approximately equals 0.6 and …
Helium Behavior in Oxide Nuclear Fuels: First Principles Modeling
2010
UO2 and (U,Pu)O2 solid solutions (the so-called MOX) nowadays are used as commercial nuclear fuels in many countries. One of the safety issues during the storage of these fuels is related to their self-irradiation that produces and accumulates point defects and helium therein. We present density functional theory (DFT) calculations for UO2, PuO2 and MOX containing He atoms in octahedral interstitial positions. In particular, we calculated basic MOX properties and He incorporation energies as functions of Pu concentration within the spin-polarized, generalized gradient approximation (GGA) DFT calculations. We also included the on-site electron correlation corrections using the Hubbard model …
Mössbauer study and non-linear excitations in the antiferromagnetic chain of Rb2Mn1−xFexF5*H2O (x≤0.50)
1989
Mossbauer effect measurements have been performed on the quasi 1-d antiferromagnetic solid solutions of Rb2Mn1−xFexF5*H2O (x=0.50) as a function of temperature. Particular attention was paid to the region very close to the Neel point. The experimental spectra show definite relaxation effects which are attributed to short-range order with temperature dependent relaxation times. The solitor, model of non-linear excitations was applied. Experimental data on Fe(III) confirm the predicted exponential temperature dependence of the thermal excitation of moving domain walls.
Radiation defects in complex perovskite solid solutions
2014
Abstract First principles density functional theory (DFT) based modeling is performed to explore formation energies of a series of point cation and oxygen defects, Frenkel and Schottky disorder, as well as structural disorder in Ba1−xSrxCo1−yFeyO3−δ (BSCF) perovskite solid solutions. The results are compared with previous studies on a prototype SrTiO3 perovskite. It is shown that BSCF permits accommodation of a high concentration of defects and cation clusters but not antisite defects.
Ab initio study of phase competition in (La1−c,Src)CoO3 solid solutions
2013
Abstract (La 1 − c ,Sr c )CoO 3 (LSC) solid solutions are promising materials for high temperature electrochemical cells and cathodes of solid oxide fuel cells. The Density Functional Theory (DFT) was applied to calculate the energies of the different superstructures in LSC which are stable with respect to formation of anti-phase domains. The energy parameters determining the relative stability of the cubic superstructures (phases) are extracted from these calculations. Using the Concentration Wave formalism and the energy parameters for different phases from DFT calculations, the temperature dependences of the long-range order parameters were obtained characterizing the order–disorder tran…
In situ Mössbauer spectroscopy: Evidence for green rust (fougerite) in a gleysol and its mineralogical transformations with time and depth
2005
Abstract A miniaturized Mossbauer spectrometer, adapted to the Earth’s conditions from the instrument developed for Mars space missions, has been used for the first time to study in situ variations with depth and transformations with time of iron minerals in a gleysol. The instrument is set into a PVC tube and can be moved up and down precisely (±1 mm) at the desired depth. Mossbauer spectra were obtained from 15 to 106 cm depth and repeated exactly at the same point at different times to follow mineralogical transformations with time. X-ray diffraction (XRD) and selective extraction techniques were performed on soil samples. The piezometric level of the water table was measured and the com…