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    题名: Insights into dynamic molecular intercalation mechanism for AleC battery by operando synchrotron X-ray techniques
    作者: Wang, Di-Yan;Huang, Shao-Ku;Liao, Hsiang-Ju;Chen, Yu-Mei;Wang, Sheng-Wen;Kao, Yu-Ting;An, Ji-Yao;Lee, Yi-Cheng;Chuang, Cheng-Hao;Huang, Yu-Cheng;Lu, Ying-Rui;Lin, Hong-Ji;Chou, Hung-Lung;Chen, Chun-Wei;Lai, Ying-Huang;Dong, Chung-Li
    关键词: Al ion battery;X-ray absorption spectroscopy;In-situ X-ray diffraction;Simulated core-level spectrum;Anion intercalation
    日期: 2019-05
    上传时间: 2019-09-24 12:11:46 (UTC+8)
    出版者: ELSEVIER
    摘要: Recently, a novel rechargeable Al ion battery (AIB) with high performance has been developed. Owing to its low cost, high-rate capability, excellent cyclability, and non-flammability, AIB provides a safe alternative to many commercial batteries used in the energy storage system. To improve its performance, identifying molecular structure and arrangement of chloroaluminate anion (AlCl4−) intercalated in the graphite layer remains a great challenge. In this work, operando analysis of X-ray diffraction (XRD) measurement and X-ray absorption (XAS) spectroscopy were performed to investigate the intercalation of AlCl4− anion and related molecular arrangement in the graphite layers. The intercalated stage and intercalant gallery height of graphite cathode electrode during AIB battery operation were observed to be stage 3 and 9.22 Å, respectively. Furthermore, the spectral evolution from ex-situ XAS at the Al and Cl K-edge was associated with closely packed intercalation of AlCl4− molecules. With density functional theory (DFT) calculation, three simulated models of intercalated AlCl4− molecules in the graphite layer were revealed successfully, which explained possible molecular structures at different charging states. This analytical methodology paves the way for better understanding the structural transformation of molecular ions de-/intercalation in graphite layers.
    關聯: Carbon 146, p.528-534
    DOI: 10.1016/j.carbon.2019.01.038
    显示于类别:[物理學系暨研究所] 期刊論文

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