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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
preprintsubmitted on 10.03.2020, 05:23 and posted on 10.03.2020, 11:40 by Madhulika Mazumder, Swapan K. Pati
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.
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.
We believe that this work is novel and has contemporary relevance.