Computational design of phosphate fluoride cathode materials for Na-based batteries.

ABSTRACT: Na-ion batteries are sustainable, low-cost alternatives to Li-ion batteries. However, their limited energy density has hindered a widespread adoption. Among positive electrode materials, polyanionic compounds approaching the performances of LiFePO₄ are being investigated. The Na₃V₂(PO₄)₂F₃ family of phosphate fluorides in particular has demonstrated sufficient specific capacity at high operating voltage. Combined with remarkable capacity retention and power capabilities, it entered applications in power tools. However significant concerns exist about the availability of vanadium. To find alternatives, we explored the substitution of V with other transition metals. We considered Ti, Cr, Mn, Fe, Co, Ni, Mo, Zr and Nb using fir

SUBMITTER: Arraghraghi H 

PROVIDER: S-EPMC12452074 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature