We propose lead-free potassium iodide perovskite solid solutions KBI3 with B-site mixing between Ge/Sn and Mg as potential candidates for photocatalysts based on systematic first-principles calculations.
The influence of LiSbO3 on the structure, microstructure, dielectric, ferroelectric and local piezoelectric properties of (K0.5Na0.5)NbO3 ceramics has been studied. Changes in unit cell parameters correlated with ionic radii changes and high effective local d33 piezoelectric coefficient values were observed depending on solid solutions compositions.
Density functional theory was used to investigate the structure and polarization of lead-free piezoelectric, Ba(1-x)CaxZryTi(1−y)O3, perovskite solid solutions namely BaTiO3 (BT), Ba(Zr0.125Ti0.875)O3 (BZT), (Ba0.875Ca0.125)TiO3 (BCT) and Ba0.875Ca0.125(Zr0.125Ti0.875)O3 (BCZT). Here we...
Highly dense Na1-xKxNbO3 (x=0.2~0.8) ceramics were successfully prepared using spark plasma sintering (SPS) at temperature as low as 920°C. Solid solutions were formed during the composition range investigated. The piezoelectric constant and planar mode electromechanical coupling coefficient are significantly dependent on the Na/K ratio, with the maximum value of 148 pC/N and 38.9% at the composition Na0.5K0.5NbO3.
First-principles study on structural, electronic and optical properties of perovskite solid solutions KB1−xMgxI3 (B = Ge, Sn) toward water splitting photocatalysis
