From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li<sub>6</sub>PS<sub>5</sub>Cl argyrodite superionic conductor
Maddalena D’Amore, Loredana Edith Daga, Riccardo Rocca, Mauro Francesco Sgroi, Naiara L. Marana, Silvia Casassa, Lorenzo Maschio, Anna Maria Ferrari
Abstract
the morphology of crystallites, charge, and electrostatic potential at surfaces, together with the effect of temperature on structural properties and the elastic behaviour of this material. Such findings may constitute the relevant groundwork for a better understanding of ionic transport in Li-ion conductors at the electrolyte/anode and electrolyte/cathode interfaces.
Topics & Concepts
Fast ion conductorLithium (medication)ElectrolyteConductorLithium metalMaterials scienceChemical physicsPhase (matter)AnodeSymmetry breakingMetalPhase transitionCondensed matter physicsSymmetry (geometry)ChemistryPhysical chemistryComposite materialPhysicsElectrodeMetallurgyQuantum mechanicsOrganic chemistryEndocrinologyGeometryMathematicsMedicineAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsInorganic Chemistry and Materials