To clarify controversial structures and phase stability in the Li-B system, we predicted energetically favorable compounds and crystal structures of the Li-B binary system at ambient pressure, mainly including Li6B5, LiB2, and LiB3, from ab initio evolutionary structure simulations and further investigated physical properties of stable Li-B compounds using first-principles methods. Metallic Li6...

OBJECTIVE The aim of this study is a systematic review of the literature on the strength and long-term behavior of zirconia FPDs. METHODS The literature search was performed using as the primary source the Medline database. Were also imposed a set of inclusion and exclusion criteria in order to narrow the search to differentiate the two distinct parts in which it was structured the review. In...

Bismuth layer ferroelectrics (BLFs) pioneered by Aurivillius about sixty years ago have been revived recently because of the fatigue- and lead-free behaviors and high Curie temperature, and especially the robust magnetoelectric (ME) effect. However, discerning the intrinsic ME nature, and the inherence between charged defect dipole induced relaxation and spin-related behaviors are still an ardu...

Raman spectroscopy demonstrates that ,5 nm dimension HfxZr1−xO2 nanocrystals prepared by a nonhydrolytic sol-gel synthesis method are solid solutions of hafnia and zirconia, with no discernable segregation within the individual nanoparticles. Zirconia-rich particles are tetragonal and ensembles of hafnia-rich particles show mixed tetragonal/monoclinic phases. Sintering at 1200 °C produces large...

The thermoluminescence (TL) after excitation by UV or X-rays radiation of alumina-zirconia powders is investigated. The composites present five of the characteristic peaks of zirconia at −170, −145, −90, 0 and 95 °C. After a thermal treatment of mixed oxides, a new peak is observed at −35 °C in TL. This peak reveals the presence of stabilized tetragonal zirconia in the material. Moreover by com...

Problem statement: This study presented bone like apatite formation on yttria stabilized zirconia in Simulated Body Fluid (SBF) through hydroxylation technique. Approach: Sol gel route was used to prepare yttria stabilized zirconia. Then it was hydroxylated with 5M H3PO4 for formation of Zr-OH group. Moreover, the growth rate of calcium and phosphate on zirconia substrate was examined using sim...

Mn K-edge X-ray absorption spectroscopy (XAS) was used to gain insights into the geometric and electronic structures of [Mn(II)(Cl)2(Me2EBC)], [Mn(IV)(OH)2(Me2EBC)](2+), and [Mn(IV)(O)(OH)(Me2EBC)](+), which are all supported by the tetradentate, macrocyclic Me2EBC ligand (Me2EBC = 4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane). Analysis of extended X-ray absorption fine structure (EX...

Monolithic macroporous zirconia (ZrO2) derived from ionic precursors has been successfully fabricated via the epoxide-mediated sol-gel route accompanied by phase separation in the presence of propylene oxide (PO) and poly(ethylene oxide) (PEO). The addition of PO used as an acid scavenger mediates the gelation, whereas PEO enhances the polymerization-induced phase separation. The appropriate ch...