First principles calculations on lithium diffusion near the surface and in the bulk of Fe-doped LiCoPO<sub>4</sub>
Kuan-Ching Wu, Chieh‐Ming Hsieh, Bor Kae Chang
Abstract
The olivine phosphate LiCoPO 4 is a prospective cathode material in high-voltage lithium-ion batteries. During lithium diffusion, the ions must overcome the diffusion energy barrier near the surface and in the bulk.
Topics & Concepts
DopingLithium (medication)DiffusionIonMaterials scienceElectrochemistryCathodeChemical physicsDiffusion barrierSurface modificationAnalytical Chemistry (journal)ChemistryNanotechnologyPhysical chemistryThermodynamicsOptoelectronicsElectrodeOrganic chemistryMedicineEndocrinologyLayer (electronics)ChromatographyPhysicsAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesAdvanced Battery Technologies Research