Structure and properties of glasses in the system Li2O–SnO–B2O3

Glasses in the system Li₂O–SnO–B₂O₃ system were prepared by a melt-quenching method. Thermal and viscous properties and local structure of these glasses were investigated. The SnO–B₂O₃ glasses exhibited relatively low glass-transition temperatures (T_g) around 350 °C and excellent thermal stability against crystallization. Viscosity measurements in the vicinity of T_g indicated that the glasses were considerably fragile compared to alkali borate glasses. Fraction of four-coordinated boron was maximized at the composition with 50 mol% SnO and that of nonbridging oxygen, which is not purely ionic in alkali borate systems but partially covalent, augmented with an increase in the SnO content. Correlation between glass properties and structure was discussed in the SnO–B₂O₃ binary system.     

The (100) orientation evolution and temperature-dependent electrical properties of Bi(Zn1/2Ti1/2)O3–PbTiO3 ferroelectric films

The 0.2Bi(Zn_1/2Ti_1/2)O₃–0.8PbTiO₃ (0.2BZT–0.8PT) ferroelectric thin film was successfully fabricated on Pt(111)/Ti/SiO₂/Si substrates by a sol–gel method. The result indicates that the film exhibits the (100) preferred orientation and has a relatively dense and uniform microstructure with a thickness of ~230 nm. The formation mechanism of the oriented films was ascribed to the growth of the (100) oriented PbO layer at ~450 °C during a layer-by-layer crystallization process. Temperature-dependent electrical properties of the 0.2BZT–0.8PT films were investigated, showing that the film has a potential for high temperature applications.     

Phases in the subsolidus area of the system CuO–V2O5–Fe2O3

The phase equilibria in the solid state in the system FeVO₄?CCu₃V₂O₈ and FeVO₄?CCuO have been determined. Based on the obtained DTA and XRD analysis results and some additional research, a phase diagram in the whole subsolidus area of the system CuO?CV₂O₅?CFe₂O₃ has been worked out. Eighteen subsidiary subsystems can be distinguished in this ternary system. Basic properties of the obtained phases with howardevansite- and lyonsite-type structure have been investigated by DTA, IR, and SEM methods.     

Phase equilibria in the solid state and colour properties of the CuO–In2O3 system

Phase equilibria up to solidus line in CuO?CIn₂O₃ system have been investigated using XRD and DTA/TG methods. According to the results, only one compound of the formula Cu₂In₂O₅ formed in the system studied. Its thermal stability was determined in the air and argon proving that the compound did not melt but underwent decomposition. The decomposition of Cu₂In₂O₅ in the air atmosphere began at 1080?°C, while in argon at 835?°C. Additional studies were undertaken to determine the hitherto unknown colour properties of samples representing the CuO?CIn₂O₃ system in the equilibrium state.     

Structure and optical properties of [Ba1–xY2x/3](Zr0.25Ti0.75)O3 powders

[Ba_1–xY_2x/3](Zr_0.25Ti_0.75)O₃ powders with different yttrium concentrations (x = 0, 0.025 and 0.05) were prepared by solid state reaction. These powders were analyzed by X-ray diffraction (XRD), Fourier transform Raman scattering (FT-RS), Fourier transform infrared (FT-IR) and X-ray absorption near-edge (XANES) spectroscopies. The optical properties were investigated by means of ultraviolet–visible (UV–vis) absorption spectroscopy and photoluminescence (PL) measurements. Even with the addition of yttrium, the XRD patterns revealed that all powders crystallize in a perovskite-type cubic structure. FT-RS and FT-IR spectra indicated that the presence of [YO₆] clusters is able to change the interaction forces between the O–Ti–O and O–Zr–O bonds. XANES spectra were used to obtain information on the off-center Ti displacements or distortion effects on the [TiO₆] clusters. The different optical band gap values estimated from UV–vis spectra suggested the existence of intermediary energy levels (shallow or deep holes) within the band gap. The PL measurements carried out with a 350 nm wavelength at room temperature showed that all powders present typical broad band emissions in the blue region.     

Preparation of CdS–TiO2/Fe3O4 photocatalyst and its photocatalytic properties

The CdS modified TiO₂/Fe₃O₄ photocatalysts were prepared by sol–gel and immersion methods. The morphological, structural and optical properties of as-prepared samples were characterized by X-ray diffraction (XRD), UV–Vis absorption spectra, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). The TEM observation showed that the surface of magnetite particles (Fe₃O₄) were coated by CdS–TiO₂ layer as loose clusters, and average diameter of composites particles was about 250 nm. UV–Vis absorption spectra indicated that CdS–TiO₂/Fe₃O₄ composites had pronounced red-shift compared with that of TiO₂/Fe₃O₄. The CdS–TiO₂/Fe₃O₄ composites exhibit higher photocatalytic activity than pure TiO₂ and TiO₂/Fe₃O₄ for the degradation of Reactive Brilliant Red X-3B dye (X-3B) aqueous solution under simulated sunlight, and the optimum content of CdS is 1.0 % (mol ratio of CdS to TiO₂). In addition, a gradual loss of photocatalytic activity can be observed in reusability test of CdS–TiO₂/Fe₃O₄ composites, and degradation of X-3B reached still to 78.9 % after five runs.     

Structural,optical and dielectric relaxor properties of neodymium doped cubic perovskite (Ba1−xNd2x/3)(Zr0.3Ti0.7)O3

Neodymium doped Barium Zirconate Titanate (Ba_1−xNd_2x/3)(Zr_0.3Ti_0.7)O₃ (x = 0.00, 0.02, 0.04, 0.06, 0.08, 0.10) ceramics were prepared using the solid state reaction route. Structural characterizations of the materials were done by using X-ray diffraction and Raman spectroscopy. XRD study suggested that all the compositions were of single phase cubic perovskite structure with space group Pm-3m while Raman spectra revealed that the replacement of the Ba²⁺ ions by Nd³⁺ ions significantly reduced the intensity of the Raman active modes and shifted them towards higher energy side. Room temperature optical property was analyzed by photoluminescence spectroscopy, which confirmed formation of shallow defects in the band gap. Photoluminescence property was attributed to the presence of polar [TiO₆] distorted clusters in the globally cubic matrix. As a result PL emission spectra of these materials were found to belong to violet–blue regions. Microstructural study of sintered pellets revealed that the grain sizes increase with increase in doping concentration. The temperature dependence of the dielectric properties was investigated in the frequency range 1 kHz to 1 MHz. The broadening in the dielectric constant peak around the phase transition temperature and shifting of the temperature maximum towards higher temperatures with increase in frequency indicated a relaxor type of behavior.     

Thermal properties of Na2O–P2O5–Fe2O3 polyphosphate glasses

Journal of Thermal Analysis and Calorimetry - Iron phosphate glasses are materials that can have many applications like durable matrixes in waste immobilization techniques, biomaterials,...     

First-principles calculations on the structures,magnetic, and electronic properties of the (Fe2N)m (m = 1–4) and (Fe3N)n (n = 1–3) clusters

The structures, magnetic, and electronic properties of the ground-state (Fe₂N)_m (m?=?1–4) and (Fe₃N)_n (n?=?1–3) clusters have been investigated by using first-principles. The structure of the (Fe₂N)_m and (Fe₃N)_n clusters is a compromise that the N atoms approach more Fe atoms and the N atoms repel each other. The structural stabilities of the (Fe₂N)_m and (Fe₃N)_n clusters increase with the increasing of the N ratio except for the Fe₆N₃ clusters. The (Fe₂N)_m (m?=?1–4) and Fe₉N₃ clusters exhibit more kinetic stabilities than pure iron clusters. The N substitution can decrease the average spin densities of small iron clusters except for the Fe₆N₂ and Fe₈N₄ clusters. The Fe–N bonds exhibit certain covalent bond characteristics.

     

Electrochemical and electrochromic properties of nanoworm-shaped Ta2O5–Pt thin-films

A Ta₂O₅–Pt nanostructure electrode was fabricated by means of cosputtering deposition method. Worm-like Pt nanoparticles were produced in Ta₂O₅ matrix as observed by transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS). The electrochemical and electrochromic properties of nanoworm-shaped Ta₂O₅–Pt electrode are compared with those of Ta₂O₅ thin-film electrode without Pt nanoparticles.     

Investigation of phase equilibria in the Er2O3–Na2O–P2O5 system: the partial system ErPO4–NaPO3–Er(PO3)3

The partial system ErPO₄–NaPO₃–Er(PO₃)₃ of the Er₂O₃–Na₂O–P₂O₅ oxide system has been investigated by thermoanalytical methods and X-ray powder diffraction. On the basis of the obtained results the phase diagram of the partial system is proposed. The system is bounded by three subsystems: (i) ErPO₄–Er(PO₃)₃, (ii) Er(PO₃)₃–NaPO₃ and (iii) ErPO₄–NaPO₃. Their phase diagrams are proposed. In the Er(PO₃)₃–NaPO₃ subsystem an intermediate compound NaEr(PO₃)₄ occurs; it melts incongruently at 655 °C. It was found that ErPO₄ and NaEr(PO₃)₄ form a section which is a real system only in the subsolidus region (below 646 °C). Two ternary invariant points (one ternary peritectic and one ternary eutectic) occur in the investigated partial system ErPO₄–NaPO₃–Er(PO₃)₃.     

Study of the system Pr2O3-SeO2-H2O at 100°C and the properties of the compounds obtained

The solubility of the system Pr₂O₃-SeO₂-H₂O at 100°C was studied. The fields of crystallization of Pr₂(SeO₃)₃·H₂O, PrH(SeO₃)₂, Pr(HSeO₃)₃ were established. The compounds obtained were identified by means of chemical, X-ray and thermal analysis. The thermal decomposition of Pr₂(SeO₃)₃·H₂O, PrH(SeO₃)₂, and Pr(HSeO₃)₃ was determined.This revised version was published online in November 2005 with corrections to the Cover Date.     

Thermodynamic and transport properties of the DyBr3–NaBr binary system

Phase equilibria in the DyBr₃–NaBr binary system were established from differential scanning calorimetry. This system exhibits incongruently melting compound Na₃DyBr₆ and one eutectic located at DyBr₃ molar fraction x = 0.409 (T = 711 K). Na₃DyBr₆ undergoes a solid–solid phase transition at 740 K and melts incongruently at 762 K. The specific conductivity of DyBr₃–NaBr liquid mixtures was measured over the whole composition range. Results obtained are discussed in term of possible complex formation.     

Investigation of nonstoichiometry and ferroelectric properties in the ternary system Li2OTa2O5(WO3)2 at 1250°C under atmospheric pressure

X-ray crystallographic studies conducted at atmospheric pressure have allowed determination of the limits of solid solutions with LiTaO₃ structure in the ternary system Li₂OTa₂O₅(WO₃)₂. Stoichiometry analysis has shown that the prevailing type of nonstoichiometry of these phases is simultaneous cationic and anionic deficits. Dielectric measurements carried out on the ceramic samples showed a decrease in the ferroelectric Curie temperature as the composition deviates from that of pure LiTaO₃.     

The effect of mechanical activation on the thermal reactions of P2O5–Al2O3–Fe2O3–Na2O phosphate glasses

The effect of mechanical activation on the structure and thermal reactions of glasses has been studied on the example of Na–Al–Fe phosphate glasses. These glasses are used in nuclear technology for immobilization of radioactive waste. The glasses were activated by grinding in a planetary mill. Mechanical activation causes a decrease of the T _g temperature as well as of the glass crystallization temperature. The type of crystalline phases formed and the quantitative proportions between them are changing. Analysis of inter-atomic interactions in the structure of glass was applied to explain the observed regularities governing the crystallization of the activated glasses.     

Thermodynamic properties of the system NH4NO3–KNO3–H2O at 298.15 K

The water activity and osmotic coefficients of the system {y NH₄NO₃+(1-y) KNO₃}(aq) has been measured at total molalities from 0.2 mol kg⁻¹ to about saturation of one of the solutes for different ionic-strength fractions y of NH₄NO₃ with y=0.2, 0.5 and 0.8 at the temperature 298.15 K using the hygrometric method. The obtained data allow the deduction of the thermodynamic parameters. From these measurements, new Pitzer ionic mixing parameters are determined and used to predict the solute activity coefficients in the mixture. The results obtained are used to calculate the excess Gibbs energy at total molalities for different ionic-strength fractions of NH₄NO₃.     

Lead-nano-dopings effects on the structural,microstructural, vibrational and thermal properties of Bi2−xPbxSrV2O9 layered perovskite

The sample with in the general formula Bi_2-xPb_xSrV₂O₉, where x = 0.0, 0.05, 0.1, 0.2, 0.3, and 0.6 mol were synthesized by the high temperature solid state reaction and firing method. The X-ray diffractograms confirmed the formation of single phased layered perovskite in all samples. TGA and DTA thermal analyses on the green samples included steps of thermal analysis of strontium carbonate, bismuth carbonate, ammonium vanadate, lead oxide and finally on the high temperature solid state formation. The effect of lead dopings on the sintering, structural and micro-structure, properties of 212BiSrV-ceramics were investigated. The infrared absorption spectra show a series of vibrational modes within the range of 400–1600 cm^?1.