We compute the structural energies, elastic constants, and stacking fault energies, and investigate the phase stability of monoborides with different compositions (X1 1−xX 2 x)B (X = Ti/Fe/Mo/Nb/V) using density functional theory in order to search for Ti monoborides with improved mechanical properties. Our computed Young’s modulus and Pugh’s modulus ratio, which correlate with stiffness and to...

Titanium K-edge X-ray absorption near-edge structure (XANES) spectroscopy is used to examine the local Ti environments in the sol, gel, and xerogels of titanium oxide prepared by a sol-gel method. The xerogels were prepared by heat treatment at 200, 300, 400, 500, and 600 degrees C (denoted xero-200, xero-300, xero-400, xero-500, and xero-600), and the xerogels were doped with Fe(II), Ni(II), a...

The performance of a new electro-Fenton process with Ti-based mixed metal oxides (Ti/MMO) cathode, a dimensionally stable electrode, is evaluated for degrading contaminants of emerging concerns (CECs) in aqueous solutions. Bisphenol A (422μgL(-1)) is completely degraded in an undivided cell using Ti/MMO as the cathode in the presence of 6.9mgL(-1) Fe(2+) within 20min under conditions of pH 4 an...

The oxidation state of Fe and Ti ions implanted in yttria stabilized zirconia (YSZ) was studied by XPS (X-ray photoelectron spectroscopy) in combination with depth profiling using Ar + sputtering. In the "as-implanted" state of the sample Fe was found to be present as Fe 3 +, Fe 2+ and as metallic Fe °. This is in agreement with earlier conversion electron Mrssbauer Spectroscopy measurements. F...

Antiferroelectrics (AFE) can exhibit a “shape memory function controllable by electric field”, with huge isotropic volumetric expansion (0.26%) associated with the AFE to Ferroelectric (FE) phase transformation. Small inverse electric field application can realize the original AFE phase. The response speed is quick (2.5 ms). In the Pb0.99Nb0.02[(Zr0.6Sn0.4)1-yTiy]0.98O3 (PNZST) system, the shap...

The effect of cobalt on the structural properties of intermetallic Tb₃Fe(₂₇.₄-x)Co(x)V₁.₆ with Nd₃(Fe,Ti)₂₉ structure has been studied by using interatomic pair potentials obtained through the lattice inversion method. Calculated results show that the preferential occupation site of the V atom is found to be the 4i(Fe3) site, and Fe atoms are substituted for Co atoms with a strong preference fo...

The ToF atom-probe FIM was used to study surface segregation of Fe-Ti alloys. Ti segregates to the surface upon annealing at or above 650°C. The degree of segregation depends on the crystallographic orientation, 100% at the (110) and (111), 70% at the (100) and £50% at the (121) plane. It is found that the presence of H2(D2) during annealing enhances surface segregation of Ti and that oxygen de...