Adsorption Mechanisms of Lithium Polysulfides on Graphene-Based Interlayers in Lithium Sulfur Batteries

Chi You Liu, Elise Y. Li*

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

17 引文 斯高帕斯(Scopus)

摘要

One of the most critical problems in lithium-sulfur (Li-S) batteries is the shuttle effect. The transfer of soluble lithium polysulfides (LiPSs) from the sulfur cathode to the lithium anode leads to a degradation in Li-S battery capacity and life cycles. Recent studies reveal that the carbon-based interlayer materials introduced between the cathode and anode can effectively improve the shuttle effect problem and increase the battery life cycles. In this work, different types of the N-doped, S-doped, and N,S-codoped graphene surfaces are investigated by theoretical calculations. We find that a strong interaction may exist between some of the heteroatom-doped graphene surfaces and lithium ions, and that the adsorption of LiPSs may proceed via one of the three mechanisms, the dissociative, the destructive, and the intact adsorptions. Detailed structural and electronic analyses indicate that the Li-trapped N,S-codoped graphene interlayers (NSG1 and NSG2) could efficiently reduce the shuttle effect through the intact adsorption mechanism. Our results provide a plausible explanation for the observed better performance of the N,S-codoped graphene interlayers in Li-S batteries.

原文英語
頁(從 - 到)455-463
頁數9
期刊ACS Applied Energy Materials
1
發行號2
DOIs
出版狀態已發佈 - 2018 二月 26

ASJC Scopus subject areas

  • 化學工程(雜項)
  • 能源工程與電力技術
  • 電化學
  • 材料化學
  • 電氣與電子工程

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