In the recently developed ultrafast Li-ion conductor, Li10GeP2S12, our ab initio and molecular dynamics simulations have revealed a unique Li ion transport mechanism. The Li ions are discovered to migrate in a highly correlated fashion, stemming from the large Coulombic interaction between the mobile ions. The stringlike cooperative ionic motion is found to entail a rather low energy barrier, contributing to the unusually high ionic conductivity of this solid-state electrolyte. Such a collective migration mechanism may also be operative in other Li-ion battery electrolytes with high concentrations of mobile Li ions.
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Research Article| July 16 2012
One-dimensional stringlike cooperative migration of lithium ions in an ultrafast ionic conductor
M. Xu, J. Ding, E. Ma; One-dimensional stringlike cooperative migration of lithium ions in an ultrafast ionic conductor. Appl. Phys. Lett. 16 July 2012; 101 (3): 031901. https://doi.org/10.1063/1.4737397
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