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We reveal the effects of cation doping and dopant-vacancy clustering on Na-ion conductivity in the anti-perovskite Na 3 OCl solid electrolyte through atomistic simulations.

Atomic-scale investigation of cation doping and defect clustering in the anti-perovskite Na3OCl sodium-ion conductor

Atomic-scale investigation of cation doping and defect clustering in the anti-perovskite Na₃OCl sodium-ion conductor