Ionic Conductivity of Lithium Phosphides

Ionic Conductivity of Lithium Phosphides

We comprehensively study the ionic conductivity in lithium phosphides, promising materials for energy storage applications, by using a combination of first-principles computations and machine learning interatomic potentials. Using the quasiharminic approximation, we calculated convex hulls of the Li...

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Bibliographic Details
Main Authors: Alexey P. Maltsev, Ilya V. Chepkasov, Alexander G. Kvashnin, Artem R. Oganov
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Crystals
Subjects:
ionic conductivity
lithium phosphides
density functional theory
machine learning interatomic potential
molecular dynamics
Online Access:https://www.mdpi.com/2073-4352/13/5/756

Internet

https://www.mdpi.com/2073-4352/13/5/756

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