Effect of bottleneck size on lithium migration in lithium garnets Li7La3Zr2O12 (LLZO)
| Autor: | Like Xu, Ying Yang, Junyang Li, Fei Chen, Qiang Shen |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
General Chemical Engineering Diffusion Doping General Engineering General Physics and Astronomy chemistry.chemical_element 02 engineering and technology Electrolyte 010402 general chemistry 021001 nanoscience & nanotechnology Thermal diffusivity Electrochemistry 01 natural sciences 0104 chemical sciences Ion Lattice constant chemistry Chemical physics General Materials Science Lithium 0210 nano-technology |
| Zdroj: | Ionics. 26:3193-3198 |
| ISSN: | 1862-0760 0947-7047 |
| Popis: | Molecular dynamic simulations were performed on element-screened Li7La3Zr2O12 (LLZO)-equivalent doping system to reveal the effect of bottleneck (surface between the polyhedron of 24d and 96h site in cubic LLZO) size on lithium ion diffusion in this garnet-type solid electrolyte. The relationship between lithium ion diffusivity, lattice constant (volume), and bottleneck size were further studied. Herein, we found unneglectable discreteness between lattice constant (volume) and lithium ion diffusivity; beyond that, a quasi-linear relationship between bottleneck size and lithium ion diffusivity under high temperature (1000~1400 K) was unveiled. Our results show that by simply regulating the bottleneck size, the diffusion properties of lithium garnets can be further improved. |
| Databáze: | OpenAIRE |
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