DFT screening of unary to ternary NASICONs with Mn, Cr, Fe identifies Na_x MnFe0.5Cr0.5(PO4)3 as a candidate cathode balancing phase stability, ~4 V voltages from Fe redox, and 0.3-0.4 eV Na+ barriers.
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Exploring Multi-Transition-Metal NASICON Frameworks as High-Performance Cathodes for Sodium-Ion Batteries
DFT screening of unary to ternary NASICONs with Mn, Cr, Fe identifies Na_x MnFe0.5Cr0.5(PO4)3 as a candidate cathode balancing phase stability, ~4 V voltages from Fe redox, and 0.3-0.4 eV Na+ barriers.