相关论文: Phase separation and surface segregation in ceria-…

We describe, within an ab-initio approach, the stabilization of the tetragonal phase vs. the monoclinic one in Yttrium-doped Zirconia. The process is believed to be influenced from different mechanisms. Indeed we show that there is a…

We consider both equilibrium and kinetic aspects of the phase separation (``thermal faceting") of thermodynamically unstable crystal surfaces into a hill--valley structure. The model we study is an Ising lattice gas for a simple cubic…

Rare earth cerium oxide (ceria) nanoparticles are stabilized using end-functional phosphonated-PEG oligomers. The complexation process and structure of the resulting hybrid core-shell singlet nanocolloids are described, characterized and…

It is well known that conventional harmonic lattice dynamics cannot be applied to energetically unstable crystals at 0 K, such as high temperature body centered cubic (BCC) phase of crystalline Zr. Predicting phonon spectra at finite…

The efficacy of the electrical conductivity relaxation (ECR) technique for investigating the oxygen transport properties of mixed conducting oxides has been evaluated. Fifteen mol% samarium doped ceria (SDC15), for which approximate values…

Thin foils of the double solid solution $(Zr{_0.5},Ti{_0.5})_{2}(Al_{0.5},Sn_{0.5})C$ MAX phase were in situ irradiated in a transmission electron microscope (TEM) up to a fluence of $1.3\times10^{17} ions$ $cm^{-2}$ (${\sim}$ 7.5 dpa),…

Solid electrolytes for solid-state Li-ion batteries are stimulating considerable interest for next-generation energy storage applications. The Li$_7$La$_3$Zr$_2$O$_{12}$ garnet-type solid electrolyte has received appreciable attention as a…

We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…

In order to probe the mechanism of solid-solid phase transformations, we have applied ultrafast shock wave compression (120 picosecond duration) and ultrashort (130 femtosecond) x-ray diffraction at the Linac Coherent Light Source (LCLS) to…

Ionic conductivity blocking at grain boundaries in polycrystalline electrolytes is one of the main obstacles that need to be overcome in order to improve the performance of solid state fuel cells and batteries. To this aim, harnessing the…

Differences in activities in colloidal particles are sufficient to drive phase separation between active and passive (or less active) particles, even if they have only excluded volume interactions. In this paper, we study the phase…

Cerium oxide (ceria, CeO2) is one of the most promising mixed ionic and electronic conducting materials. Previous atomistic analysis has covered widely the effects of substitution on oxygen vacancy migration. However, an in-depth analysis…

Substitutions of the zirconium and tin ions along with the indium-niobium and iron-niobium complexes for titanium in the barium modified NBT solid solutions impact the formation of phases in the process of the solid state synthesis and the…

Using density-functional theory in combination with a thermodynamic formalism we calculate the relative stability of various structural models of the polar O-terminated (000-1)-O surface of ZnO. Model surfaces with different concentrations…

The CoCrFeNi alloy is widely accepted as an exemplary stable base for high entropy alloys (HEAs). Although various investigations prove it to be stable solid solution, its phase stability is still suspicious. Here, we identified that the…

The temperature driven segregation of Cr to the surface of the tungsten-based WCrY alloy is analysed with low energy ion scattering of He+ ions with an energy of 1 keV in the temperature range from room temperature to 1000 K. Due to the…

Zirconium (Zr), together with strontium and yttrium, is an important element in the understanding of the Galactic nucleosynthesis. In fact, the triad Sr-Y-Zr constitutes the first peak of s-process elements. Despite its general relevance…

Three dimensional difference pair distribution functions from X-ray and neutron diffraction experiments are reported for yttria stabilized zirconia (Zr$_{0.82}$Y$_{0.18}$O$_{1.91}$). We use a quantitative analysis of the signatures in the…

Developing nanostructured bulk ceramics is a major challenge when conventional high-temperature sintering is employed for consolidation. In the current investigation, yttria-stabilized zirconia (YSZ) with a composition of ZrO2 - 3 mol% Y2O3…

Thin films of undoped zinc oxide (ZnO) and doped ZnO with copper were deposited on ceramic pellets made from abundant local clay materials with an addition of zirconia (ZrO2). The thin layers were prepared by a thermal method using an…