A theoretical method to assess cyclability of intercalation electrode materials using DFT
Hatef Yousefi‐Mashhour, Samin Hassani, Mohammad Mahdi Kalantarian, Afshin Namiranian
Topics & Concepts
Intercalation (chemistry)ElectrodeDensity functional theoryMagnetic momentSpinelFormula unitMaterials scienceStructural stabilityCrystal structureChemical physicsChemistryComputational chemistryInorganic chemistryCondensed matter physicsCrystallographyPhysical chemistryMetallurgyEngineeringPhysicsStructural engineeringAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesAdvanced Battery Technologies Research