摘要
First-principles investigations on 1D TiS2(en) are performed to evaluate its potential as an electrode for lithium ion batteries. The intercalation of lithium ions into LixTiS2(en) follows the Rüdorff model and the lithium ions are predicted to diffuse along the one-dimensional axis of the TiS2(en) nanostructure with a small diffusion barrier of 0.27 eV.
原文 | 英語 |
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頁(從 - 到) | 12389-12394 |
頁數 | 6 |
期刊 | Physical Chemistry Chemical Physics |
卷 | 22 |
發行號 | 22 |
DOIs | |
出版狀態 | 已發佈 - 2020 6月 14 |
ASJC Scopus subject areas
- 一般物理與天文學
- 物理與理論化學