Structure,nonstoichiometry, sintering and oxygen permeability of perovskite SrCo1−2x(Fe,Nb)xO3−δ (x = 0.05, 0.10) oxides

The novel Fe/Nb co-substituted SrCo_1?2x(Fe,Nb)_xO_3?δ (x = 0.05, 0.10) oxides have been synthesized and characterized by X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetry (TG), and scanning electron microscopy (SEM). The XRD and DSC results demonstrate that the structural stability of the Fe/Nb co-substituted samples x = 0.05, 0.10 is improved greatly compared to the sample x = 0.00. The Fe/Nb co-doping in the SrCoO_3?δ oxide results in the improved structural stability of the SrCo_1?2x(Fe,Nb)_xO_3?δ (x = 0.05, 0.10) oxides. The nonstoichiometric and sintering properties were investigated by TG and SEM, and the oxygen permeation fluxes were measured at 800–950 °C for the sample x = 0.10. The improved oxygen permeability of the ceramic SrCo_1?2x(Fe,Nb)_xO_3?δ (x = 0.10) membrane compared to the (Ba_0.5Sr_0.5)(Co_0.8Fe_0.2)O_3?δ and SrCo_0.8Fe_0.2O_3–δ membranes, was observed under an air/He oxygen partial pressure gradient at 800–950 °C.     

Microwave-assisted synthesis and characterization of Ti1 − xVxO2 (x = 0.0–0.10) nanopowders

Ti_1 ? xV_xO₂ (x = 0.0–0.10) nanopowders were successfully synthesized by a microwave-assisted sol–gel technique and their crystal structure and electronic structure were investigated. The products were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), Raman and UV–Vis spectroscopy. The results revealed that TiO₂ powders maintained the anatase phase for calcination temperature below 600 °C, but gradually changed to the rutile phase above 800 °C. The formation of the rutile phase was completed at 1000 °C. For Ti_1 ? xV_xO₂ (x = 0.05) powders, the phase transformation appeared at 600 °C. The absorption edge of Ti_1 ? xV_xO₂ (x > 0) powders broadened to the visible region with increasing V concentration and a strong visible light absorption was obtained with 10% V doping. V doping and subsequent coexistence of both anatase and rutile phases in our Ti_1 ? xV_xO₂ nanoparticles are considered to be responsible for the enhanced absorption of visible light up to 800 nm.     

Thermoelectric and magnetic properties of Ca3Co4–xCuxO9 + δ with x = 0.00, 0.05, 0.07, 0.10 and 0.15

Ca₃Co_4–xCu_xO_9 + δ (x = 0.00, 0.05, 0.07, 0.10 and 0.15) samples were prepared by conventional solid-state synthesis and their thermoelectric properties were systematically investigated. The thermopower of all the samples was positive, indicating that the predominant carriers are holes over the entire temperature range. Ca₃Co_3.85Cu_0.15O_9 + δ had the highest power factor of 2.17 μW cm⁻¹ K⁻² at 141 K, representing an improvement of about 64.4% compared to undoped Ca₃Co₄O_9 + δ. Magnetization measurements indicated that all the samples exhibit a low-spin state of cobalt ions. The observed effective magnetic moments decreased with increasing copper content.     

Structural,magnetic and microwave absorption characteristics of BaCoxMnxTi2xFe12 − 4xO19

The effect of Mn⁺²Co⁺²Ti⁺⁴ substitution on microwave absorption has been studied for BaCo_xMn_xTi_2xFe_12 ? 4xO₁₉ ferrite–acrylic resin composites, where x varies from 0.3 to 0.5 in steps of 0.1, in frequency range from 12 to 20 GHz. X-ray diffraction (XRD), scanning electron microscope (SEM), vibrating sample magnetometer, and vector network analyzer were used to analyze the structures, electromagnetic and microwave absorption properties. The results showed that, the magnetoplumbite structures for all samples have been formed. Based on microwave measurement on reflectivity, BaCo_xMn_xTi_2xFe_12 ? 4xO₁₉ may be a good candidate for electromagnetic compatibility and other practical applications at high frequency.     

Combustion synthesis of (Mo1 − xCrx)Si2 (x = 0.00–0.30) alloys in SHS mode

Combustion synthesis was adopted to successfully synthesize molybdenum–silicon–chromium (Mo?Si?Cr) alloys by the mode of self-propagating high-temperature synthesis (SHS). The experimental study of combustion synthesis of Mo?Si?Cr alloys was conducted on elemental powder compacts. Powder compacts with nominal compositions including MoSi₂, (Mo_0.95Cr_0.05)Si₂, (Mo_0.90Cr_0.10)Si₂, (Mo_0.85Cr_0.15)Si₂, (Mo_0.80Cr_0.20)Si₂, (Mo_0.75Cr_0.25)Si₂ and (Mo_0.70Cr_0.30)Si₂ were employed in combustion synthesis experiments. The combustion mode, combustion temperature, flame-front propagation velocity and product structure were investigated. The results showed that Mo?Si?Cr alloys were synthesized by an unsteady state combustion mode with a spiral-trajectory reaction front. The peak combustion temperature reduced with the addition of Cr to Mo–Si system. The flame-front propagation velocity decreased with an increase in Cr content of the powder compact. The X-ray diffraction (XRD) results showed that the crystal structure of the combustion product changed from Cll_b-type structure (Mo_0.90Cr_0.10)Si₂ to C40-type structure (Mo_0.85Cr_0.15)Si₂ with increase in Cr content of Mo–Cr–Si alloys. The intensities of diffraction peaks of the C40-type phase gradually increased with increase in Cr content.     

Electronic structure of Cu100−xZrx (x = 40, 50, 60) metallic glasses

The electronic structure of Cu_100−xZr_x (x = 40, 50, 60) metallic glasses was investigated by ultraviolet photoelectron spectroscopy and X-ray photoemission spectroscopy, the valence band spectra of these alloys were analyzed by a large shift of the Cu d-band peaks to higher binding energies upon increasing Cu content. Photoemission experiments and first-principles calculations prove that the values of density of states at Fermi level of Cu_100−xZr_x metallic glasses are mainly dominated by Zr rather than Cu. This work will enlighten further research on understanding the inheritance of metallic glasses and designing new metallic glasses with unique properties.     

Synthesis and characterization of flower-like CuIn1−xGaxS2 (x = 0.3) microspheres

We report the formation and characterization of the flower-like CuIn_1?xGa_xS₂ (x = 0.3) microspheres using CuCl₂·2H₂O, GaCl₃, InCl₃ and l-cystine in the mixed solvent of ethylene glycol and distilled water (1:2, v/v) at 200 °C for 24 h. XRD results indicated that the CuIn_0.7Ga_0.3S₂ nanostructures have a (1 1 2) preferred orientation. The EDS and XPS analyses of the sample revealed that Cu, In, Ga and S were present in an atomic ratio of approximately 1:0.7:0.3:2. FESEM and TEM images showed that the product was microspheres, consisting of nanoplates with the thickness of about 20 nm. The optical properties were investigated by ultraviolet–visible (UV–vis) absorption spectroscopy and Raman spectroscopy. UV–vis absorption spectrum indicated that the band gap of as-synthesized flower-like CuIn_0.7Ga_0.3S₂ microspheres was about 2.427 eV. Raman spectrum of the obtained CuIn_0.7Ga_0.3S₂ exhibited a high-intensity peak at 302 cm^?1 could be assigned as A1-mode.     

Structure,chemical stability and electrical conductivity of perovskite La0.6Sr0.4M0.3Fe0.7O3−δ (M = Co,Ti) oxides

The perovskite La_0.6Sr_0.4M_0.3Fe_0.7O_3?δ (M = Co, Ti) powders have been synthesized by the citrate gel method. The structural and chemical stability of the La_0.6Sr_0.4M_0.3Fe_0.7O_3?δ (M = Co, Ti) oxides were studied by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) techniques. The electrical conductivities of the sintered La_0.6Sr_0.4M_0.3Fe_0.7O_3?δ (M = Co, Ti) ceramics were measured. The results demonstrate the chemical stability in H₂/helium (He) atmosphere of the La_0.6Sr_0.4Ti_0.3Fe_0.7O_3?δ oxide is improved significantly compared to that of the La_0.6Sr_0.4Co_0.3Fe_0.7O_3?δ oxide. The incorporation of Ti^3+/4+ ions in the perovskite structure can significantly stabilize the neighboring oxygen octahedral due to the stronger bonding strength, leading to the enhanced structural and chemical stability of the La_0.6Sr_0.4Ti_0.3Fe_0.7O_3?δ. In addition, the perovskite La_0.6Sr_0.4M_0.3Fe_0.7O_3?δ (M = Co, Ti) oxides possess much higher chemical stability in CO₂/He atmosphere than that of Ba_0.5Sr_0.5Co_0.8Fe_0.2O_3?δ oxide, in which the perovskite structure is destroyed completely in a flowing CO₂-containing atmosphere.     

Electronic structure of the LiAA′O6 (A = Nb,Ta, and A′ = W,Mo) ceramics by modified Becke-Johnson potential

DFT is used to study various transition metal based ceramics LiAA′O₆ (A = Nb, Ta, and A′ = W, Mo) in tetragonal phase with space group 421 m (No. 113). The calculated structural and geometrical parameters are found in closed agreement with the experiments. Electronic clouds explain the chemical bonding and reveal that Li atom occupy central position and form ionic bond. Other bonds in these compounds are significantly covalent due to the sharing of electrons between O and A/A′. The electronic properties demonstrate that these compounds are wide bandgap semiconductors in the energy range of 2.18–2.60 eV. These bandgap energies confirm the suitability of these oxides in optoelectronic devices operating in the visible range of the electromagnetic spectrum.     

Doping effects of Li–Sb content on the structure and electrical properties of [(Na0.5K0.5)1 − x(Li)x(Sb)x(Nb)1 − xO3] lead-free piezoelectric ceramics

Ceramic samples of [Na_0.5K_0.5]_1 ? x(Li)_x(Sb)_x(Nb)_1 ? xO₃ (NKNLS) (x = 0.04–0.06) were prepared by high temperature solid-state reaction method. X-ray diffraction analysis of the powder samples suggests the formation of a single-phase material with transformation from orthorhombic to tetragonal crystal structure with increase in Sb content. Dielectric studies show a diffuse phase transition about 100 °C and another phase ferroelectric–paraelectric transition at 330 °C. Polarization vs. electric field (P–E) hysteresis studies show maximum remanent polarization (Pr ～ 0.66 C m^?2) for composition x = 0.05. AC conductivity in the compound increases with increase in temperature which may be attributed due to oxygen vacancies and show negative temperature coefficient of resistance (NTCR) effect.     

Measuring spectral transmission and refractive index of AgCl1−xBrx (0 ⩽ x ⩽ 1) and Ag1−xTlxBr1−xIx (0 ⩽ x ⩽ 0.05) at the wavelength of 10.6 μm

We measured the complex refractive index at the wavelength of 10.6 μm with the help of Fourier transform infrared spectroscopy for polycrystalline plates of the following compositions AgCl_1−xBr_x (0 ⩽ x ⩽ 1) and Ag_1−xTl_xBr_1−xI_x, where x varied from 0 to 0.05. In order to do it we chose a segment of the spectrum, which was recorded with a high resolution (0.5 cm⁻¹) using the HgCdTe detector and which had a set of 10 identical peaks. It is shown that the real part of the refractive index rises along with increasing the substituting component fraction in the solid solution from 1.99 to 2.17 for AgCl_1−xBr_x and from 2.17 to 2.24 within the range of TlI mole fraction up to 0.05 for Ag_1−xTl_xBr_1−xI_x. We considered errors introduced by the spectrometer resolution and the accuracy rating of the micrometer, which was used to measure sample thickness. It is seen in the spectra, recorded for the second system with a lower resolution and using a deuterated and l-alanine doped triglycine sulfate detector, that increasing the thallium monoiodide fraction results in widening the transmission range towards bigger wavelengths. We also plan to use the obtained refractive index values for simulating mid-infrared optical fibers, the polycrystalline structure of which is close to the structure of the plates under investigation.     

Cation distribution in the Bi4 − xRExTi3O12 (RE = La,Nd) solid solution and Curie temperature dependence

Bi_4 ? xRE_xTi₃O₁₂ (RE = La, Nd) ferroelectric powders were prepared by a co-precipitation route. Raman spectroscopy and X-ray diffraction were employed to determine the crystal site of La³⁺ and Nd³⁺ as well as the effect of their addition on the crystal structure. It was found that La atoms were not only placed preferentially in pseudo-perovskite A sites for concentrations x ≤ 1.2 but also substituted for Bi³⁺ in (Bi₂O₂)^2 + layers for greater concentrations. A similar behavior was observed with the limit value x = 0.8 in case of Nd³⁺. In solid solution La or Nd³⁺ ions diminish the distortions in the octahedron formed by oxygen atoms, so there is a tendency to undergo a transition in crystal symmetry from orthorhombic to tetragonal. Finally differential scanning calorimetry (DSC) shows a linear dependence of the Curie temperature (T_c) when the amount of La³⁺ or Nd³⁺ was increased.     

Processing and electrical properties of (1 − x)[(1 − y)(Pb(Mg1/3Nb2/3)O3)–y(Pb(Yb1/2Nb1/2)O3)]–xPbTiO3 ceramics

Ferroelectric ceramics in the vicinity of morphotropic phase boundary (MPB) with compositions represented as (1 ? x)[(1 ? y)(Pb(Mg_1/3Nb_2/3)O₃)–y(Pb(Yb_1/2Nb_1/2)O₃)]–xPbTiO₃ were prepared by solid state reaction. The addition of PYbN to PMN–PT decreased the sintering temperature from 1200 °C (y = 0.25) to 1000 °C (y = 0.75). The PT content, where the MPB was observed, increased with the PYbN addition. A remanent polarization value of 28.5 µC/cm² and a coercive field value of 11 kV/cm were measured from 0.62[0.25PMN–0.75PYbN]–0.38PT ceramics, which were close to the ones measured from PMN–0.32PT ceramics. In addition, the Curie temperature was found to increase with PYbN additions.     

Multicolor-emitting Ca3 -x-ySry(PO4)2:xEu2 + (0 ≤ x ≤ 0.075, 0 ≤ y ≤ 2.2) phosphors for light-emitting diodes

In this paper, a series of Ca_3 -x-ySr_y(PO₄)₂:xEu^2 +, (0 ≤ x ≤ 0.075, 0 ≤ y ≤ 2.2) phosphors were prepared by flux assisted solid-state reaction method, and their photoluminescence properties were investigated. The β- to β′-phase transition of Ca_3 -ySr_y(PO₄)₂ for high Sr^2 + content was observed from the XRD patterns, and the corresponding optical bandgaps were obtained experimentally. Various Eu^2 + emission centers were found, which generate tunable emission depending on the Sr^2 + concentration. Broad and intense excitation bands exist in Eu^2 + activated Ca₃(PO₄)₂, and the introduction of Sr^2 + further extends and enhances the excitation bands beyond 350 nm, which is beneficial to the applications on near ultraviolet LEDs. The morphology measurement reveals that the average size of particles with smooth surface is about 11.2 μm, which is suitable for the practical applications. These results indicate that the Ca_3 -x-ySr_y(PO₄)₂:xEu^2 + phosphors could be promising candidates for LEDs.     

Low temperature synthesis,dielectric and electrical characteristics of Bi2/3Cu3−xNixTi4O12(where x = 0.05, 0.1, and 0.2) ceramics for the dielectric and electrical properties

Journal of Materials Science: Materials in Electronics - We have investigated a low-temperature chemical route of the synthesis and measured the dielectric, electrical and morphological...     

Atomic diffusion in the Fe [0 0 1] ∑ = 5 (3 1 0) and (2 1 0) symmetric tilt grain boundary

Both the formation and diffusion activation energies of single vacancy migrating intra-layer and inter-layer near the Fe [0 0 1] Σ = 5 (3 1 0) and (2 1 0) symmetric tilt grain boundaries have been calculated by using the MAEAM and a MD method. From energy minimization, the vacancy concentration in the second layer is higher than the one in the other layers for both (3 1 0) and (2 1 0) STGBs. By the diffusion activation energies of the vacancies migrating intra-layer and inter-layer, the vacancies located from the first to the eighth layers of (3 1 0) STGB as well as the ones located from the first to the tenth layers of (2 1 0) STGB are favorably migrated to the second layer. Thus there is a vacancy aggregation tendency to the second layer near the grain boundary. For the vacancy migrating intra-layer and inter-layer, the influences of the grain boundary are respectively as far as to the fifth and eighth layers for (3 1 0) STGB as well as to the sixth and tenth layers for (2 1 0) STGB.     

Synthesis and electrical conductivity of La0.6Sr0.4Ru1−xMgxO3−δ (x = 0–0.6) perovskite solid solution

Sr and Mg were doped at La- and Ru-sites of perovskite oxide LaRuO₃, respectively, to enhance electrical conductivity and catalytic property as a cathode material for a low temperature solid oxide fuel cell. Crystal structure and particle morphology of La_0.6Sr_0.4Ru_1?xMg_xO_3?δ powders (shorten as LSRM) and electrical conductivity of sintered LSRM were studied. LSRM powders (x = 0–0.6) were prepared by co-precipitation method using metal nitrate solutions and ammonium carbonate solution. The freeze-dried powders were heated at 1273 K in air to form LSRM solid solution of orthorhombic structure. The true densities and particle sizes of LSRM solid solution, where valence of Ru was estimated to be 3+, decreased with increasing Mg content. The electrical conductivity of LSRM at x = 0–0.3 was almost independent of temperature and was in a range of 19–360 S cm^?1 at 1073 K. Hole conduction contributed to the high electrical conductivities. LSRM at x = 0.4 and 0.5 was a mixed conductor of oxide ions and holes, and showed a conductivity of 11 S cm^?1 at 1073 K in air. This conductivity decreased at a lower oxygen pressure and reached a constant value below 10 Pa of oxygen pressure.     

Synthesis,magnetic and Mössbauer study of ε-FexN (2 < x < 3) nanowires

Several micro meter long nanowires of ε-Fe_xN (2 < x < 3) are synthesized through a reduction nitridation method of Fe-NTA precursor formed by a hydrothermal method. The formation of pure iron nitride nanowires is confirmed by XRD. SEM analysis shows the porous nature of the iron nitride nanowires, which will enhance its suitability in catalysis. The field dependent magnetic behavior shows the ferromagnetic nature of the iron nitride nanowires. An appreciably good magnetization value (71 emu/g) and low coercivity (24 Oe) of the system makes it suitable for magnetic recording head applications. The room temperature Mössbauer study of the pristine nitride nanowires shows the existence of two iron sites corresponding to Fe (II) and Fe (III) indicating structural disorder.