Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study
In this work, we used a density functional theory-based molecular dynamics simulation to investigate the Ca content-dependent Li-ion conductivity of NASICON-type Li1+2xCaxZr2-x(PO4)3 (LCZP) solid electrolytes (0.063 ≤ x ≤ 0.375) which exhibit a Li-excess chemical composition. The LCZP systems show a...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2018-06-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/1.5033460 |