Understanding the anchoring behavior of titanium carbide-based MXenes depending on the functional group in LiS batteries: A density functional theory study

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• 作者：Eun Seob Sim ; Gyu Seong Yi ; Minyeong Je ; Youngbin Lee ; Yong-Chae Chung ; ^{yongchae@hanyang.ac.kr}
• 关键词：Lithium-sulfur battery ; Shuttle effect ; Anchoring material ; Ti2C-based MXene ; Density functional theory
• 刊名：Journal of Power Sources
• 出版年：2017
• 出版时间：28 February 2017
• 年：2017
• 卷：342
• 期：Complete
• 页码：64-69
• 全文大小：1314 K
• 卷排序：342

文摘

Different mechanisms to suppress shuttle effect of Ti2CF2 and Ti2CO2 are proposed. Ti2CF2 restrains the shuttle effect via strong interaction with LiPSs. Ti2CO2 converts highly soluble high-order LiPSs to insoluble elemental sulfur. Semiconductor to metal transition is presented at Ti2CO2 after adsorption of LiPSs.