Borate-Based Compounds as Mixed Polyanion Cathode Materials for Advanced Batteries.

Abstract

Rational design of new and cost-effective advanced batteries for the intended scale of application is concurrent with cathode materials development. Foundational knowledge of cathode materials' processing-structure-properties-performance relationship is integral. In this review, we provide an overview of borate-based compounds as possible mixed polyanion cathode materials in organic electrolyte metal-ion batteries. A recapitulation of lithium-ion battery (LIB) cathode materials development provides that rationale. The combined method of data mining and high-throughput ab initio computing was briefly discussed to derive how carbonate-based compounds in sidorenkite structure were suggested. Borate-based compounds, albeit just close to stability (viz., <30 meV at-1), offer tunability and versatility and hence, potential effectivity as polyanion cathodes due to (1) diverse structures which can host alkali metal intercalation; (2) the low weight of borate relative to mature polyanion families which can translate to higher theoretical capacity; and a (3) rich chemistry which can alter the inductive effect on earth-abundant transition metals (e.g., Ni and Fe), potentially improving the open-circuit voltage (OCV) of the cell. This review paper provides a reference on the structures, properties, and synthesis routes of known borate-based compounds [viz., borophosphate (BPO), borosilicate (BSiO), and borosulfate (BSO)], as these borate-based compounds are untapped despite their potential for mixed polyanion cathode materials for advanced batteries.