From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor

Keyphrases

• Quantum Mechanical 100%
• Phase Transition 100%
• Symmetry Breaking 100%
• Elastic Behavior 100%
• Argyrodite 100%
• Li6PS5Cl 100%
• Superionic Conductor 100%
• Thermal Behavior 50%
• Temperature Effect 50%
• Electrolyte 50%
• Structural Properties 50%
• Ab Initio Methods 50%
• Crystallites 50%
• Safe Use 50%
• Electrostatic Potential 50%
• Surface Reconstruction 50%
• Lithium Chloride 50%
• Chemical Nature 50%
• Intimate Contact 50%
• Up-Down 50%
• Bulk Structure 50%
• Thiophosphate 50%
• Charging Potential 50%
• Metallic Lithium Anode 50%
• High Ionic Conductivity 50%
• All-solid-state Battery 50%
• Electrolyte Cathode 50%
• Cathode Interface 50%
• Local Phase Transition 50%
• Metastable Crystals 50%
• Electrolyte Materials 50%
• Lithium Sulfide 50%
• Li-ion 50%
• Ionic Transport 50%
• Spontaneous Symmetry Breaking 50%
• Electrolyte Anode 50%
• Lithium Superionic Conductor 50%

Material Science

• Surface (Surface Science) 100%
• Solid Electrolyte 100%
• Anode 50%
• Lithium 50%
• Elastic Behavior 50%
• Cathode 25%
• Conductor 25%
• Structural Property 25%
• Ionic Conductivity 25%
• Crystallite 25%
• Crystal Structure 25%
• Lithium Ion 25%
• All-Solid-State Batteries 25%
• Surface Reconstruction 25%