Motion of a lithium ion over a graphene–silicene channel: A computer model
- 作者: Rakhmanova O.1, Galashev A.1
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隶属关系:
- Institute of High-Temperature Electrochemistry, Ural Branch
- 期: 卷 91, 编号 5 (2017)
- 页面: 921-925
- 栏目: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/169488
- DOI: https://doi.org/10.1134/S003602441705020X
- ID: 169488
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详细
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.
作者简介
O. Rakhmanova
Institute of High-Temperature Electrochemistry, Ural Branch
编辑信件的主要联系方式.
Email: rakhmanova@ihte.uran.ru
俄罗斯联邦, Yekaterinburg, 620137
A. Galashev
Institute of High-Temperature Electrochemistry, Ural Branch
Email: rakhmanova@ihte.uran.ru
俄罗斯联邦, Yekaterinburg, 620137