High-Throughput Screening of Solid-State Li-Ion Conductors Using Lattice-Dynamics Descriptors
Summary: Low lithium-ion migration barriers have recently been associated with low average vibrational frequencies or phonon band centers, further helping identify descriptors for superionic conduction. To further explore this correlation, here we present the computational screening of ∼14,000 Li-co...
Main Authors: | Sokseiha Muy, Johannes Voss, Roman Schlem, Raimund Koerver, Stefan J. Sedlmaier, Filippo Maglia, Peter Lamp, Wolfgang G. Zeier, Yang Shao-Horn |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2019-06-01
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Series: | iScience |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2589004219301737 |
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