A novel intercalation cathode material for sodium-based batteries

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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.

This content has been updated on April, J 16 at 10 h 54 min.