Impact of the Li substructure on the diffusion pathways in alpha and beta Li<sub>3</sub>PS<sub>4</sub>: an <i>in situ</i> high temperature neutron diffraction study
Kavish Kaup, Laidong Zhou, Ashfia Huq, Linda F. Nazar
Abstract
An <italic>in situ</italic> variable-temperature neutron diffraction study of Li<sub>3</sub>PS<sub>4</sub> reveals the structure and Li-ion diffusion pathways (<italic>via</italic> MEM and BVEL calculations) of the high temperature fast-ion conductor, α-Li<sub>3</sub>PS<sub>4</sub>, (<italic>E</italic><sub>a</sub> = 0.22 eV), and compares them to those of other polymorphs and the Si-substituted phase.
Topics & Concepts
Neutron diffractionSubstructureLithium (medication)IonDiffusionDiffractionCrystallographyX-ray crystallographyMaterials scienceChemistryPhysicsCrystal structureOpticsOrganic chemistryEndocrinologyEngineeringMedicineThermodynamicsStructural engineeringAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesInorganic Chemistry and Materials