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Insight on lithium polysulfide intermediates in a Li/S battery by density functional theory

RSC Advances, ISSN: 2046-2069, Vol: 7, Issue: 53, Page: 33373-33377
2017
  • 29
    Citations
  • 0
    Usage
  • 50
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    29
    • Citation Indexes
      29
  • Captures
    50

Article Description

Soluble lithium polysulfide intermediates dissolve and shuttle during the process of charge/discharge, leading to the rapid capacity decline of a Li-S battery. Density functional theory (DFT) computation is used to research the thermodynamic behavior of the polysulfides. The computation indicates that the stable molecular structures tend to be in a ring shape. This is helpful for cathode modification at a molecular level to fix the polysulfides.

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