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説明:

Pure silicide electrodes have attracted attention as a promising anode material in lithium-ion batteries using certain ionic liquid electrolytes. However, the reaction mechanisms of the silicide electrodes, in particular the lithiation sites in the crystal lattice and the reaction parts (bulk or surface), are still unclear. Here, we investigated the electrochemical lithiation mechanism of an NiSi2 electrode. It is revealed that no phase separation of NiSi2 occurred and no lithiation of Si generated from NiSi2 arose by X-ray diffraction, transmission electron microscopy and so on. In contrast, 7Li magic angle spinning nuclear magnetic resonance demonstrated that stable deposition-dissolution of Li metal did not occur on the NiSi2 electrode and the electrochemical lithiation of NiSi2 itself proceeded. Additionally, we investigated the lithiation sites based on the computational chemistry. The peak positions that appeared in the NMR spectra were different from those predicted by the calculated valence electron numbers. This is due to the increase in conduction electrons near the Fermi energy associated with the amount of Li stored in the NiSi2 crystal lattice and the followed by Knight shift.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: Reaction Mechanism, Lithiation Site, Ionic Liquid Electrolyte, Knight Shift

刊行年月日: 2025-03-29

出版者: The Electrochemical Society of Japan

掲載誌:

• Electrochemistry (ISSN: 13443542) vol. 93 issue. 3 25-00015

研究助成金:

• Japan Society for the Promotion of Science JP24K08565
• Japan Society for the Promotion of Science JP20H00399
• Japan Society for the Promotion of Science JP23K04535
• Japan Society for the Promotion of Science JP23K18465
• Japan Society for the Promotion of Science JP23K26758

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.5796/electrochemistry.25-00015

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更新時刻: 2025-04-20 17:34:42 +0900

MDRでの公開時刻: 2025-04-20 17:17:39 +0900