• 文献标题:   Motion of a lithium ion over a graphene-silicene channel: A computer model
  • 文献类型:   Article
  • 作  者:   RAKHMANOVA OR, GALASHEV AE
  • 作者关键词:   lithium, graphenesilicene channel, monovacancie, trajectory of the motion, channel width
  • 出版物名称:   RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • ISSN:   0036-0244 EI 1531-863X
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   8
  • DOI:   10.1134/S003602441705020X
  • 出版年:   2017

▎ 摘  要

The motion of a lithium ion over a channel formed by sheets of perfect and defect (with monovacancies) silicene with a graphene support at different values of the channel gap is studied by means of molecular dynamics. It is established that the lithium ion enters the channel and passes through it at gap widths of 0.75 and 0.8 nm; at the same time, the monovacancies in the silicene sheets have a decelerating effect on the lithium transport over the channel. The ion passes through the channel in 12.6 and 8.6 ps for ideal silicene and 27.7 and 31.8 ps for defect silicene, respectively. It is shown that graphene sheets have a stabilizing effect that prevents the gap value from changing appreciably.