By subjecting amorphous flower-like TiO2 to a facile hydrothermal synthesis in the presence of Sr(2+), garden-like perovskite SrTiO3 superstructures were achieved. The amorphous TiO2 was preformed using ZnO flowers as templates. Different three-dimensional SrTiO3 architectures were coexisted in the garden, including SrTiO3 flowers composed of several hollow sword-shaped petals, many sheet-shape...

A Monte Carlo based method due to Mishin [1] for obtaining activation energies for ionic transport processes has been implemented for empirical-potential models and used in conjunction with Condor and Globus tools. Results are shown for Na migrating in quartz, and O vacancy hopping in CaTiO3. We also describe the extensions at the Condor/Globus interface we found necessary to implement in order...

We present the results of calculations of surface relaxations, energetics, and bonding properties for CaTiO3 001 and 011 surfaces using a hybrid description of exchange and correlation. We consider both CaO and TiO2 terminations of the nonpolar 001 surface and Ca, TiO, and O terminations of the polar 011 surface. On the 001 surfaces, we find that all upper-layer atoms relax inward on the CaO-te...

Calcium titanate (CaTiO3), a multi-metal oxide has received extensive attention in recent years, due to its unique structural features, high chemical stability, strong catalytic activity, inexpensiveness, low toxicity, and easy synthesis. In this work, we have focused our research on investigated the influence of Ca weight microstructure properties CaTiO3 films. films TiO2 nanotube templates we...

A novel graphitic carbon nitride (g-C3N4)-CaTiO3 (CTCN) organic-inorganic heterojunction photocatalyst was synthesized by a facile mixing method, resulting in the deposition of CaTiO3 (CT) nanoflakes onto the surface of g-C3N4 nanosheets. The photocatalytic activity of the as-synthesized heterojunction (along with the controls) was evaluated by studying the degradation of an aqueous solution of...

Yijia Gu,1,* Karin Rabe,2 Eric Bousquet,3,4 Venkatraman Gopalan,1 and Long-Qing Chen1 1Department of Materials Science and Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, USA 2Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA 3Department of Materials, ETH Zürich, Wolfgang-Pauli-Strasse 27, CH-8093 Zürich, Switzerland...

This study investigated the impact of calcium silicate (CS) content on composition, compressive mechanical properties, and hardness of CS cermets with Ti-55Ni and Ti-6Al-4V alloys sintered at 1200°C. The powder metallurgy route was exploited to prepare the cermets. New phases of materials of Ni16Ti6Si7, CaTiO3, and Ni31Si12 appeared in cermet of Ti-55Ni with CS and in cermet of Ti-6Al-4V with C...

CaCu3-xNixTi4O12/CaTiO3 ceramic composites were fabricated using initial Ca2Cu2-xNixTi4O12 compositions (x = 0, 0.05, 0.10, and 0.20) to improve the dielectric properties (DPs) of CaCu3Ti4O12 ceramics. CaTiO3 phases confirmed. Microstructural analysis Rietveld refinement showed that Ni2+ dopant might substitute Cu2+ sites structure. The average grain sizes (4.1–5.6 μm) (1.2–1.4 changed slightly...