文化大學機構典藏 CCUR:Item 987654321/48778
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    Please use this identifier to cite or link to this item: https://irlib.pccu.edu.tw/handle/987654321/48778


    Title: A computational exploration of the 1D TiS2(en) nanostructure for lithium ion batteries
    Authors: Huang, CH (Huang, Chun-Hao)
    Chang, CC (Chang, Chun-Chih)
    Li, EY (Li, Elise Y.)
    Contributors: 化材系
    Keywords: PERFORMANCE ANODE MATERIALS
    TRANSITION-METAL SULFIDES
    1ST PRINCIPLES
    INTERCALATION
    CONVERSION
    ENERGY
    NANOPARTICLES
    CHALLENGES
    ELECTRODES
    STABILITY
    Date: 2020-06-14
    Issue Date: 2020-11-03 15:41:11 (UTC+8)
    Abstract: 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.
    Relation: PHYSICAL CHEMISTRY CHEMICAL PHYSICS 卷冊: 22 期: 22 頁數: 12389-12394
    Appears in Collections:[化學工程與材料工程學系暨碩士班] 期刊論文

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