| 題名: | A computational exploration of the 1D TiS2(en) nanostructure for lithium ion batteries |
| 作者: | Huang, CH (Huang, Chun-Hao)
Chang, CC (Chang, Chun-Chih)
Li, EY (Li, Elise Y.) |
| 貢獻者: | 化材系 |
| 關鍵詞: | PERFORMANCE ANODE MATERIALS
TRANSITION-METAL SULFIDES
1ST PRINCIPLES
INTERCALATION
CONVERSION
ENERGY
NANOPARTICLES
CHALLENGES
ELECTRODES
STABILITY |
| 日期: | 2020-06-14 |
| 上傳時間: | 2020-11-03 15:41:11 (UTC+8) |
| 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 LixTiS(2)(en) follows the Rudorff 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. |
| 關聯: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 卷冊: 22 期: 22 頁數: 12389-12394 |
| 顯示於類別: | [化學工程與材料工程學系暨碩士班] 期刊論文
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