First-principles investigation of the structural stability and electronic properties of LiV1–xMxPO4F (M = Mn, Fe, Co, and Ni)
Fayou Jiang, Yuli Di, Endong Liu, Shanhua Chen, Fang Chen, Xiaodong Zhu, Xiaolian Wang, Zhengyuan Lu, Duohui Huang
Topics & Concepts
Materials scienceDopingElectrochemistryElectronic band structureDopantDensity functional theoryElectronic structureElectrodeCondensed matter physicsCrystal structureDensity of statesCrystallographyChemistryPhysical chemistryComputational chemistryOptoelectronicsPhysicsAdvancements in Battery MaterialsMetal Extraction and BioleachingExtraction and Separation Processes