Ab-initio calculation of muon spin polarization function to study lithium-ion diffusion in LiTi2O4 battery material

We report the study of lithium-ion diffusion in LiTi2O4 battery material by the analysis of muon spin polarization function at the muon site by DFT calculation. The important parameters which explain the lithium-ion diffusion will be derived from the function, including the field fluctuation rate an...

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Bibliographic Details
Main Authors: Suprayoga, E., Rifai, A., Subhan, A., Sunardinanto, G. K., Hanna, M. Y., Hasdeo, E. H., Nugraha, A. R. T.
Format: Conference Proceeding
Language:English
Subjects:
Diffusion rate
Ion diffusion
Lithium
Lithium ions
Mathematical analysis
Muons
Polarization (spin alignment)
Rechargeable batteries
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Summary:We report the study of lithium-ion diffusion in LiTi2O4 battery material by the analysis of muon spin polarization function at the muon site by DFT calculation. The important parameters which explain the lithium-ion diffusion will be derived from the function, including the field fluctuation rate and the local field distribution. The calculated results are shown in good agreement with the previously measured field distribution and the field fluctuation rate in LiTi2O4 at the ground state temperature. This method, therefore, may apply to the study of other battery materials.
ISSN:0094-243X
1551-7616
DOI:10.1063/5.0014693