Figure 5.

(a) AC-TEM image showing the distribution of S vacancies in 3R-stacked bilayer MoS₂. The color key is SV₁ = green, DV₁ = red, SV₂ = gray, DV₂ = purple. Zoomed in HRTEM image indicating (b) SV₁, (c) SV₂, (d) DV₁, and (e) DV₂. (j–m) Multislice image simulations based on DFT-calculated atomic models of a 3R-stacked MoS₂ bilayer with (f) one missing S atom and (g) two missing S atoms in the Mo-S–S column and (h) one missing S atom and (i) two missing S atoms in the S–S column, respectively. Vacancies are marked as colored balls in the top view and crosses in the 3D view. (n–q) Boxed line profiles taken along the yellow dashed rectangles marked A–H.