Figure 5 | Scientific Reports

Figure 5

From: Metallic edge states in zig-zag vertically-oriented MoS2 nanowalls

Figure 5

(a) The ZZ MoS2 nanowall can be modelled by constructing a 1 × 3 × 1 supercell with vacuum in the z direction. A vacuum layer with length of 17.170 Å was inserted along the ZZ edge of the nanowall, in order to to avoid spurious interactions between the repeating supercell images. This 1 × 3 × 1 supercell in the x and z directions was used to determine the density of states associated to the ZZ MoS2 nanowall, which can be treated as a two-dimensional sheet composed by ZZ nanorribons stacked along the y direction. (b) (Top panel) density of states of ZZ MoS2 nanowalls, (central and bottom panels) the individual contributions to the DOS from the Mo and S atoms located at the ZZ surface.

Back to article page