Birunthayini Sivasithamparapillai

Atomistic Modelling of the Lithium-Based NASICON-Type Electrolyte LiZr2(PO4)3

LiZr2(PO4)3 (LZP) is a promising solid-state electrolyte for lithium-ion batteries owing to its structurally stable NASICON-type framework and potential for rapid Li-ion conduction. In this study, classical atomistic simulations were employed to investigate intrinsic defect forma...