Li-ion transport kinetics of Li10GeP2S12 solid electrolyte and its response to isovalent cation substitutions: Density functional theory and machine-learning-assisted molecular dynamics study
Hyeok Jin Ko, Min Ha Cho, Hong‐Kyu Kim, David O. Scanlon, Hee Jung Park, Yong‐Seok Choi
Topics & Concepts
Density functional theoryElectrolyteKineticsIonMolecular dynamicsChemistryIon transporterChemical physicsThermodynamicsComputational chemistryPhysical chemistryElectrodePhysicsOrganic chemistryQuantum mechanicsAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsAdvanced Battery Technologies Research