We present the ab initio study of the cathode material LiNaFePO 4 F, which is suitable for rechargeable batteries. Our calculations reveal the ferromagnetic order to be the ground state of this material. We also predict more than 5.0 V intercalation voltage of this material for sodium-ion batteries. The low cost of sodium iron fluorophasphate batteries and more than 5.0 V intercalation voltage makes it the more suitable candidate, commercially and scientifically, than any other cathode materials for rechargeable batteries.
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Ramzan et al. (2009) studied this question.
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