Effect of an Electric Field on a Lithium Ion in a Channel of the Doped Silicene–Graphite System

Using the method of molecular dynamics, the behavior of a lithium ion under the action of a constant electric field in a channel formed by silicene sheets doped with phosphorus is studied. It is shown that if the intersheet space in doped silicene is 0.6 nm, then a single lithium ion can freely enter a channel located on a graphite substrate (with the layers doped with nitrogen) and move along the channel. It is found that doping element phosphorus has a strengthening effect on silicene. Two-dimensional silicon structures are slightly deformed but not destroyed and remain stable during the entire calculation time (100 ps). It is shown that the roughness of silicene sheets and the volume of the intersheet space in the channel do not increase after the lithium ion passes through it, since the crystalline structure of silicene is preserved.