First-principles calculations to investigate electrochemical performance of the LiYO3 cathode for Li-ion battery
A. Erraji, R. Masrour
Topics & Concepts
Bulk modulusDebye modelMaterials scienceBand gapDensity functional theoryDebyeDensity of statesDielectricCondensed matter physicsThermodynamicsChemistryComputational chemistryOptoelectronicsPhysicsComposite materialAdvancements in Battery MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies