A computational exploration of the 1D TiS2(en) nanostructure for lithium ion batteries

Chun Hao Huang, Chun Chih Chang, Elise Y. Li

    研究成果: 雜誌貢獻期刊論文同行評審

    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
    頁(從 - 到)12389-12394
    頁數6
    期刊Physical Chemistry Chemical Physics
    22
    發行號22
    DOIs
    出版狀態已發佈 - 2020 六月 14

    ASJC Scopus subject areas

    • 物理與天文學 (全部)
    • 物理與理論化學

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