Insights into MoS2-coated LiVPO4F for lithium ion batteries: A first-principles investigation
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- 作者：Xiaojun Lva ; Zhenming Xua ; Jie Lia ; 15216105346@163.com" class="auth_mail" title="E-mail the corresponding author ; Jiangan Chenb ; Qingsheng Liuc
- 关键词：First-principles calculations ; LiVPO4F ; MoS2 coating ; Electron conductivity
- 刊名：Journal of Alloys and Compounds
- 出版年：2016
- 出版时间：5 October 2016
- 年：2016
- 卷：681
- 期：Complete
- 页码：253-259
- 全文大小：1995 K
文摘
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LiVPO4F (010) surface exposing Li and O atoms is the lowest energy surface.
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New surface states reduce the band gap of LiVPO4F surface.
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MoS2 coating dramatically increases the stability of LiVPO4F surface.
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MoS2 coating enhances the performance of electron transmission.