Fast Lithium Ion Diffusion in Brownmillerite $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866912151154720768 |
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| author | Chen, Xin Zhang, Xixiang Yu, Jie-Xiang Zang, Jiadong |
| author_facet | Chen, Xin Zhang, Xixiang Yu, Jie-Xiang Zang, Jiadong |
| contents | Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high hopping attempt frequency are the keys to achieve fast ion diffusion in solids. Taking advantage of the oxygen-vacancy channel in $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$, we show that migration barriers of lithium ion are as small as 0.28~0.17eV depending on the lithium concentration rates. Our first-principles calculation also investigated hopping attempt frequency and concluded the room temperature ionic diffusivity and ion conductivity is high as ${10}^{-7}\sim{10}^{-6}~\mathrm{{cm}^{2}~s^{-1}}$ and ${10}^{-3}\sim{10}^{-2}~\mathrm{S\cdot{cm}^{-1}}$ respectively, which outperform most of perovskite-type, garnet-type and sulfide Li-ion solid-state electrolytes. This work proves $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$ as a promising super-ionic conductor. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2402_17557 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Fast Lithium Ion Diffusion in Brownmillerite $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$ Chen, Xin Zhang, Xixiang Yu, Jie-Xiang Zang, Jiadong Materials Science Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high hopping attempt frequency are the keys to achieve fast ion diffusion in solids. Taking advantage of the oxygen-vacancy channel in $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$, we show that migration barriers of lithium ion are as small as 0.28~0.17eV depending on the lithium concentration rates. Our first-principles calculation also investigated hopping attempt frequency and concluded the room temperature ionic diffusivity and ion conductivity is high as ${10}^{-7}\sim{10}^{-6}~\mathrm{{cm}^{2}~s^{-1}}$ and ${10}^{-3}\sim{10}^{-2}~\mathrm{S\cdot{cm}^{-1}}$ respectively, which outperform most of perovskite-type, garnet-type and sulfide Li-ion solid-state electrolytes. This work proves $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$ as a promising super-ionic conductor. |
| title | Fast Lithium Ion Diffusion in Brownmillerite $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2402.17557 |