Exploring Na_5M(PO_4)_2 F_2 (M=Cr,V) Frameworks as Superionic Cathode Materials for Sodium Ion Batteries Through A First Principles Approach
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The rising needs to develop high-performance energy storage systems fuelled us to rationally design a system of frameworks Na5M(PO4)2F2 (M=Cr, v), which can find use as Superionic cathode materials for Sodium Ion Batteries.<div>The findings of the work provide a theoretical basis with respect to their thermodynamics as well as Na ion migration kinetics. In addition to DFT studies, we have also performed Ab-Initio Molecular Dynamics simulations to obtain a more realistic understanding of the systems at finite temperatures. </div><div>We believe that this work is novel and has contemporary relevance.</div>
2020 ◽
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2017 ◽
Vol 704
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pp. 631-640
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2017 ◽
Vol 19
(11)
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pp. 7506-7523
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2019 ◽
Vol 301
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pp. 352-358
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