Local structure and lithium-ion diffusion pathway of cubic Li7La3Zr2O12 studied by total scattering and the Reverse Monte Carlo method

Tian, Haolai; Cai, Guanqun; Tan, Lei; Lin, He; Phillips, Anthony E.; Abrahams, Isaac; Keen, David A.; Keeble, Dean S.; Fiedler, Andy; Zhang, Junrong; Kong, Xiang Yang; Dove, Martin T.

doi:10.1039/d3ta04495e

J. Mater. Chem. A

2023

DOI: 10.1039/d3ta04495e

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Local structure and lithium-ion diffusion pathway of cubic Li₇La₃Zr₂O₁₂ studied by total scattering and the Reverse Monte Carlo method

Haolai Tian,

Guanqun Cai,

Lei Tan

et al.

Abstract: The cubic phase of Li7La3Zr2O12 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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Local structure and lithium-ion diffusion pathway of cubic Li₇La₃Zr₂O₁₂ studied by total scattering and the Reverse Monte Carlo method

Abstract: The cubic phase of Li7La3Zr2O12 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.

Cited by 2 publications

References 54 publications

Nonequilibrium fast-lithiation of Li4Ti5O12 thin film anode for LIBs

Nonequilibrium fast-lithiation of Li4Ti5O12 thin film anode for LIBs

Effects of Al concentration on the structure and conductivity of lithium lanthanum zirconium oxide

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