Molecular-Ratchet Like Cation-Anion Coupling Dynamics Assist Ion Migration in Room Temperature Ionic Conductors.
A deep understanding of ion transport mechanisms in solids is crucial to the rational design and optimization of ionic conductors. In this work, ab initio molecular dynamics (AIMD) simulations at room temperature were employed to elucidate the cation-anion dynamic coupling and its critical role in promoting cation migr...