Ontology highlight
ABSTRACT:
SUBMITTER: Muy S
PROVIDER: S-EPMC6581664 | biostudies-literature | 2019 Jun
REPOSITORIES: biostudies-literature
Muy Sokseiha S Voss Johannes J Schlem Roman R Koerver Raimund R Sedlmaier Stefan J SJ Maglia Filippo F Lamp Peter P Zeier Wolfgang G WG Shao-Horn Yang Y
iScience 20190529
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-containing compounds in the Materials Project database using a descriptor based on lattice dynamics reported recently to identify new promising Li-ion conductors. An efficient computational approach was optimize ...[more]