Electronic charge density as a fast approach for predicting Li-ion migration pathways in superionic conductors with first-principles level precision

Title
Electronic charge density as a fast approach for predicting Li-ion migration pathways in superionic conductors with first-principles level precision
Authors
Keywords
Ionic Conductivity, First-principles, Migration Pathways, Electronic Charge Density, Material Descriptor
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 192, Issue -, Pages 110380
Publisher
Elsevier BV
Online
2021-02-24
DOI
10.1016/j.commatsci.2021.110380

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