In this project electrical and optical properties of BaZrO3 have been accomplished through the full-potential linear augmented plane wave (FP-LAPW) by applying Wein2k software. In this study band structure, density of state, gap energy, refractive index and optical conduction have been studied. The results of calculations show that BaZrO3 is an insulator with an indirect gap in which 3.2 ev and...

A perovskite-structured barium zirconate, BaZrO3 (BZ), support is demonstrated to enhance the activity, relative to γ-Al2O3, of Co nanoparticle catalysts decorated with Pt for CO2 methanation. The CO2 methanation reaction may play a central role in both CO2 utilization and energy storage strategies for renewable energy. These catalysts require cooperative hydrogen transport between the supporte...

Small substitutions of BaZrO3 into Ba[(Zn,Ni)1/3Ta2/3]O3 are utilized in the commercial preparation of low-loss perovskite microwave dielectrics. The structures of a series of these phases with substitution levels ranging from 1% to 5% BaZrO3 were examined using high-resolution TEM. For ≤ 2.15% BaZrO3 the solid solutions retain the ordered ‘‘1:2’’ structure of the Ba[(Zn,Ni)1/3Ta2/3]O3 end-memb...

Using density functional theory calculations, we investigate the feasibility of using silver on the perovskite A-site in high-performance lead-free piezoelectrics. The calculations show that silver atoms are ferroelectrically active and can off-center by 0.5 Å. To induce Ag ferroelctric behavior absent in pure AgNbO3 we explore solid solutions of AgNbO3 with well-known simple perovskites PbTiO3...

We report a successful fabrication of long-length RABiTS-based coated conductors (CC) via chemical solution deposition starting from colloidal YBa2Cu3O7-δ (YBCO) solutions containing 5 mol-% preformed BaMO3 (M = Hf, Zr) nanocrystals. Partial optimization the existing continuous reel-to-reel YBCO processing design experiments (DoE) approach allowed us to obtain nanocomposites that retain 80-90% ...

The emission of wide band photoluminescence showed a synergic effect on barium zirconate and barium titanate thin films in alternate multilayer system at room temperature by 488 nm exiting wavelength. The thin films obtained by spin-coating were annealed at 350, 450, and 550 degrees C for 2 h. The X-ray patterns revealed the complete separation among the BaTiO3 and BaZrO3 phases in the adjacent...