To enable the development of all-solid-state batteries, an inorganic solid-state electrolyte
should demonstrate high ionic conductivity (ie,> 1 mS cm− 1 at 25° C), compressibility (eg,> …

Bond-length distributions are examined for 63 transition metal ions bonded to O2− in 147
configurations, for 7522 coordination polyhedra and 41 488 bond distances, providing …

Exploring significant ultraviolet/deep‐ultraviolet nonlinear optical (NLO) materials is
hindered by rigorous and contradictory requirements, especially, possessing a moderate …

Solid-state fast ionic conductors are of great interest due to their application potential
enabling the development of safer high-performance energy and conversion systems …

The identification of materials for advanced energy-storage systems is still mostly based on
experimental trial and error. Increasingly, computational tools are sought to accelerate …

Microwave dielectric materials play a key role in our global society with a wide range of
applications, from terrestrial and satellite communication including software radio, GPS, and …

The bond valence model, a description of acid-base bonding, is widely used for analysing
and modelling the structures and properties of solids and liquids. Unlike other models of …

A chemical cosubstitution strategy was implemented to design potential ultraviolet (UV) and
deep-UV nonlinear optical (NLO) materials. Taking the classic β-BaB2O4 as a maternal …

The software program SPuDS has been developed to predict the crystal structures of
perovskites, including those distorted by tilting of the octahedra. The user inputs the …

Publisher Summary This chapter deals with rare earth (R) aluminates and gallates, which
adopt the perovskite-type structure. Experimental data on crystal structures, their thermal …