Molecular dynamics study of lithium intercalation into -oh functionalized carbon nanotube bundle

HIGHLIGHTS

  • who: Bin Zheng from the SchoolNormal University have published the Article: Molecular dynamics study of lithium intercalation into -OH functionalized carbon nanotube bundle, in the Journal: Scientific Reports Scientific Reports
  • what: The effects of hydroxyl group modification on the interaction of Li ions into CNT-OH bundle have been studied using ab initio MD simulation method.
  • future: Future work with full considerations of vdW electrolyte and chirality influences is suggested for better fitting with practical applications.

SUMMARY

    To exclude the influence of Li ion with CNTs` interactions at the . . .

     

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