A novel intercalation cathode material for sodium-based batteries

NaFeZr2F11We propose NaFeZr2F11 and NaFeTi2F11 as novel materials for Na intercalation cathodes. The average sodium intercalation voltage for these compounds is about 4.0 V from first principles computations. The origin of this large voltage for a nominal Fe2+/Fe3+ redox couple is proposed to be a combination of the fluorine “booster” effect, the inductive effect and the stiffness of the proposed structure upon desodiation.

Ce contenu a été mis à jour le 26 avril 2016 à 10 h 54 min.