Graphene and Graphite Supports for Silicene Stabilization: A Computation Study

详细

The methods of molecular dynamics were used to study structural changes observed in bilayer silicene and thin slices of an ordinary Si crystal when transferred to the graphite substrate. The shape of the radial distribution function indicates noticeable distortion of the long-range order in the Si crystalline film. The first high peak of this function indicates honeycomb lattice in silicene. The motion the lithium ion in the silicene-graphene channel has been studied. The external strengthening of the silicene channel with graphene sheets not only increases its firmness but also improves the passage of intercalated lithium ions through this channel. The stresses in the channel walls are substantially decreased due to vacancy defects. Defects in the form of hexa-vacancies preserve their shape better than others defects when lithium ions pass through the channel.