Au and Ti induced charge redistributions on monolayer WS2 |
The vertical ((a1)–(a3)) and lateral ((b1)–(b3)) sections of deformation charge densities of the pristine, Au and Ti adsorbed M–WS2. The vertical sections contain the Au–S and Ti–S bonds. The lateral sections contain the upmost S atoms. The contours interval is 0.004 e/Å3, positive contours are shown as red solid lines, and negative contours as blue dashed lines. |