Effect of electric field on lithium ion in silicene channel. Computer experiment

详细

The molecular dynamics method is used to study the drift of Li⁺ ions exposed to electric interactions in a planar channel formed by silicene sheets. The character of dynamics of the ion and also its effect on mechanical properties of silicene sheets are used to determine the optimum size of the planar channel clearance. Instability of the surface (4 × 4) structure of free bilayer silicene is demonstrated. Mobilities of Si atoms and distributions of the main stresses in silicene appearing in the course of lithium ion movement along the channel are calculated.