Electronic charge density as a fast approach for predicting Li-ion migration pathways in superionic conductors with first-principles level precision
Yinqiao Liu, Xue Jiang, Jijun Zhao, Ming Hu
Topics & Concepts
Fast ion conductorIonMaterials scienceElectronic structureChemical physicsDensity functional theoryCharge (physics)Electrical conductorCharge densityMultiscale modelingElectrolyteComputer scienceNanotechnologyChemistryComputational chemistryPhysicsElectrodePhysical chemistryOrganic chemistryQuantum mechanicsComposite materialAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesAdvanced Battery Technologies Research