Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study

• Main Authors: Noda, Y, Nakano, K, Otake, M, Kobayashi, R, Kotobuki, M, Lu, L, Nakayama, M
• Other Authors: MECHANICAL ENGINEERING
• Format: Article
• Published: 2020
• Subjects: Activation energy; Calcium; Density functional theory; Distribution functions; Ions; Lithium; Molecular dynamics; Potentiometric sensors; Solid electrolytes; Trapped ions; Zirconium compounds; Ca substitution; Chemical compositions; Content dependent; Displacement function; First principles molecular dynamics; Li ion conductivities; Molecular dynamics simulations; Radial distribution functions; Lithium compounds
• Online Access: https://scholarbank.nus.edu.sg/handle/10635/182078
• Institution: National University of Singapore

10.1063/1.5033460