Gibbs energy of formation of orthorhombic CaZrO3

The Gibbs free energy of formation of the orthorhombic form of CaZrO3(o) from monoclinic ZrO2(m) and periclase CaO(p) has been determined as a function of temperature in the range 950-1225 K, using an electrochemical cell incorporating single-crystal CaF2 as the solid electrolyte. The results are corrected for the small solid solubility of CaO in ZrO2. For the reaction, ZrO2(m) + CaO(p) --> CaZrO3(o), DELTAG(phi) = -31590 -13.9T(+/- 180) J mol-1. The ''second-law'' enthalpy of formation of CaZrO3 obtained from the results of this study at a mean temperature of 1090 K is in excellent agreement with the high-temperature solution calorimetric measurements of Muromachi and Navrotsky at 1068 K (J. Solid State Chem., 72 (1988) 244), and the average value of the bomb and acid solution calorimetric studies of Lvova and Feodosev (Zh. Fiz. Khim., 38 (1964) 28), Korneev et al. (Izv. Akad. Nauk SSSR, Neorg. Mater., 7 (1971) 886) and Brown and Bennington (Thermochim. Acta, 106 (1986) 183). The standard entropy of CaZrO3(o) at 298.15 K from the free energy data is 96.4 (+/- 3.5) J K-1 mol-1. The results of this study are discussed in comparison with high-temperture e.m.f. measurements reported in the literature on cubic zirconia solid solutions.

Strontium and calcium zirconyl citrates as precursors for the low-temperature synthesis of SrZrO3 and CaZrO3 fine powders

Synthesis and the thermal decomposition behavior of new molecular precursors, strontium, and calcium zirconyl citrates are presented. The pathway to the metazirconate formation has been found to proceed through a multistep process. The precursors yield SrZrO3 and CaZrO3 fine powders at temperatures as low as 650 degrees C. Physico-chemical, spectroscopic, thermoanalytical, and microscopic techniques have enabled the identification of the sequence of events leading to the perovskite formation and proposition of a thermolysis scheme. Retention of the molecular level mixing of the metal ions during the course of the precursor decomposition is supported by these techniques. Prior to the formation of MZrO3 (M = Sr and Ca) an ionic oxycarbonate, M2Zr2O5CO3 (M = SI. and Ca), intermediate is produced by the thermal decomposition of the citrate precursors.

Investigación sobre el efecto de la Hercynita en la microestructura y propiedades de una combinación refractaria base MGO-CaZrO3

Tesis ( Maestro en Ciencias en Ingeniería de Materiales) U.A.N.L.

Synthesis by a chemical method and characterization of CaZrO3 powders: Potential application as humidity sensors

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A theoretical investigation of the structural and eletronic properties of orthorhombic CaZrO3

A CaZrO3 (CZO) powder was prepared by the soft chemical, polymeric precursor method (PPM). The CZO crystalline structure was investigated by powder X-ray diffraction (XDR), Retvield Refinament data, Raman spectra and ultraviolet–visible absorption spectroscopy. A theoretical study was performed using a periodic quantum mechanical calculation (CRYSTAL09 program). The periodic model built for the crystalline CZO structure was consistent with the experimental data obtained from structural and electronic properties. These results show that the material has an orthorhombic structure with experimental and theoretical gap values of 5.7 eV and 6.2 eV, respectively. In this article, we discuss the hybridization process of the oxygen p-orbitals and of the zirconium d-orbitals and analyze their band structures and density of states (partial and total).

Characterization of superconducting BSCCO/CaSiO3 and BSCCO/CaZrO3 Ag PIT wires

The addition of two compounds, calcium silicate and calcium zirconate was tested in the preparation of Bi: 2212 silver sheathed wires by powder-in-tube method. The wires were treated in an atmosphere of O-2/Ar using partial melting method. The characterizations were structural and on their electrical and magnetic properties. It was found that the addition of calcium silicate or zirconate promoted higher transition temperatures, up to 116 K for BSCCO with 1wt.% CaSiO3. The critical current densities determined by transport and magnetization measurements were improved in comparison with the wires without any addition.

Characterization of superconducting BSCCO/CaSiO3 and BSCCO/CaZrO3 Ag PIT wires

The addition of two compounds, calcium silicate and calcium zirconate was tested, in the preparation of Bi: 2212 silver sheathed wires by powder-in-tube method, which were successfully tested previously in processing chips. The wires were treated in an atmosphere of O2/Ar using partial melting method. The characterizations were structural and on their electrical and magnetic properties. As the results, transition temperatures were higher than the expected for this stage, ranged from 105K (BSCCO880) to 116K (+Si883). The critical current densities encountered in transport and magnetization measurements were improved in comparison with the wires without addition.

Synthesis, characterisation, luminescence and defect centres in solution combustion synthesised CaZrO3:Tb3+ phosphor

Tb3+ doped CaZrO3 has been prepared by an easy solution combustion synthesis method. The combustion derived powder was investigated by X-ray diffraction, Fourier-transform infrared spectrometry and scanning electron microscopy techniques. A room temperature photoluminescence study showed that the phosphors can be efficiently excited by 251 nm light with a weak emission in the blue and orange region and a strong emission in green light region. CaZrO3:Tb3+ exhibits three thermoluminescence (TL) glow peaks at 126 degrees C, 200 degrees C and 480 degrees C. Electron Spin Resonance (ESR) studies were carried out to study the defect centres induced in the phosphor by gamma irradiation and also to identify the centres responsible for the TL peaks. The room temperature ESR spectrum of irradiated phosphor appears to be a superposition of two distinct centres. One of the centres (centre I) with principal g-value 2.0233 is identified as an O- ion. Centre II with an axial symmetric g-tensor with principal values g(parallel to) = 1.9986 and g(perpendicular to) = 2.0023 is assigned to an F+ centre (singly ionised oxygen vacancy). An additional defect centre is observed during thermal annealing experiments and this centre (assigned to F+ centre) seems to originate from an F centre (oxygen vacancy with two electrons). The F centre and also the F+ centre appear to correlate with the observed high temperature TL peak in CaZrO3:Tb3+ phosphor. (c) 2012 Elsevier B.V. All rights reserved.

Caracterización de CaZrO3 sintetizado vía sol-gel

En este artículo se presenta el análisis de un método para obtener una perovskita (CaZrO3) mediante Sol-Gel, considerando variables de acidez de la solución en la preparación de precursores, una rutina de secado y un tratamiento térmico a los geles obtenidos.

Phase Relations in the System CaO-Fe2O3-Y2O3 at 1273 K and Compatibility Between Y1-xCaxFeO3-0.5x and Stabilized Zirconia

Phase relations in the system CaO-Fe2O3-Y2O3 in air (P-O2/P-o = 0.21) were explored by equilibrating samples representing eleven compositions in the ternary at 1273 K, followed by quenching to room temperature and phase identification using XRD. Limited mutual solubility was observed between YFeO3 and Ca2Fe2O5. No quaternary oxide was identified. An isothermal section of the phase diagram at 1273 K was constructed from the results. Five three-phase regions and four extended two-phase regions were observed. The extended two-phase regions arise from the limited solid solutions based on the ternary oxides YFeO3 and Ca2Fe2O5. Activities of CaO, Fe2O3 and Y2O3 in the three-phase fields were computed using recently measured thermodynamic data on the ternary oxides. The experimental phase diagram is consistent with thermodynamic data. The computed activities of CaO indicate that compositions of CaO-doped YFeO3 exhibiting good electrical conductivity are not compatible with zirconia-based electrolytes; CaO will react with ZrO2 to form CaZrO3.

Transport properties of Ca-doped YBCO coated conductors

The authors have doped RABiTS coated conductor tapes with Ca in an attempt to enhance the transport properties. By diffusing Ca into the YBCO film from a CaZrO3 overlayer, the authors have been able to preferentially dope the grain boundaries of the superconductor. Hence it has been possible to obtain doped tapes which do not have a significantly degraded T-c. The authors have measured the critical currents of doped and undoped samples over a wide range of temperature, magnetic field, and magnetic field angle in order to study the effect of Ca on the grain boundaries. The authors find that doping using short anneal times produces enhanced critical currents in large magnetic fields.