A comprehensive quantitative DFT procedure to evaluate rate-capability and electron conduction of intercalation electrode materials: Assessment of novel Li[Mi]1/3[Mj]1/3[Mk]1/3O2 electrodes as case studies
Hatef Yousefi‐Mashhour, Mohammad Mahdi Kalantarian, Afshin Namiranian
Topics & Concepts
Materials scienceElectrodeIntercalation (chemistry)CathodeElectrochemistryBattery (electricity)Thermoelectric effectDensity functional theoryThermodynamicsPhysical chemistryComputational chemistryChemistryInorganic chemistryPower (physics)PhysicsAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesAdvanced Battery Technologies Research