Rational design of solid materials: a case study of lithium-ion conductors

Abstract

In the absence of a reliable method for a priori prediction of structure and properties of inorganic solid materials, an experimental approach involving a systematic study of composition, structure and properties combined with chemical intuition based on previous experience is likely to be a viable alternative to the problem of rational design of inorganic materials. The approach is illustrated by taking perovskite lithium-ion conductors as an example.