Structural and electronic descriptors for atmospheric instability of Li-thiophosphate using density functional theory
Ji-Su Kim, Minjae Jeon, Seong-Min Kim, Jong‐Ho Lee, Byung-Kook Kim, Hyoungchul Kim
Topics & Concepts
InstabilityThiophosphateGibbs free energyDensity functional theoryVacancy defectChemistryIonMaterials scienceThermodynamicsChemical physicsComputational chemistryCrystallographyPhysicsOrganic chemistryMechanicsThermal and Kinetic AnalysisAdvanced Battery Materials and TechnologiesAdvancements in Battery Materials