Local structure and lithium-ion diffusion pathway of cubic Li7La3Zr2O12 studied by total scattering and the Reverse Monte Carlo method
Journal of Materials Chemistry A2023Vol. 11(46), pp. 25516–25533
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H. L. Tian, Guanqun Cai, Lei Tan, He Lin, Anthony E. Phillips, Isaac Abrahams, David A. Keen, Dean S. Keeble, Andy Fiedler, Junrong Zhang, Xiangyang Kong, Martin T. Dove
Abstract
The cubic phase of Li 7 La 3 Zr 2 O 12 shows fast diffusion of the lithium ions. Combining total scattering measurements analysed by the RMC method with molecular dynamics simulations gives a detailed picture of the distribution of the Li + ions.
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