ECS PRiME 2020, Hawaii, Honolulu (USA)
Phase Behavior in NaSICON Electrolytes and Electrodes

NaSICON compounds serve both as solid electrolytes and as electrodes in sodium batteries. In this talk, Zeyu Deng presents the phase diagram of the NaSICON electrolyte Na_1+xZr₂Si_xP_3−xO₁₂, computed with density functional theory, cluster expansions and Monte Carlo simulations, and what it means for making the best sodium conductors.

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