Flexible doorway controlled Na<sup>+</sup> ion diffusion in NaPSO glassy electrolytes from machine-learning force field simulations
Kun Luo, R. Zhou, Steve W. Martin, Qi An
Abstract
Oxygen doping reduces free volume yet paradoxically enhances amorphous framework flexibility, facilitating Na + ion diffusion. This balance leads to an initial increase, then a decline, observed in conductivity of NaPSO electrolytes.
Topics & Concepts
DiffusionElectrolyteIonMaterials scienceField (mathematics)Chemical physicsAtomic physicsNuclear physicsPhysicsChemistryThermodynamicsPhysical chemistryMathematicsQuantum mechanicsPure mathematicsElectrodeAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsFuel Cells and Related Materials