Fig. 3.

High-resolution analysis of electric field and total charge around pristine WS₂ and a 1D line vacancy in MoS₂. a Atomic model of MoS₂, (b) total charge map from DFT calculations for MoS₂ (scale bar indicates 0.1 nm and is applicable to panels (a–e)). Units are in elementary charge per Angstrom² and c experimental total charge map for MoS₂. d Total charge map from DFT calculations for WS₂ (scale bar indicates 0.1 nm and is applicable to panels (d) and e and e total experimental charge map of WS₂. f Atomic model of the 1D channel Mo−Mo bonding region in MoS₂ line defects (scale bar in panel (f) indicates 0.1 nm and is applicable to panels (f)−(h)). g |E_┴| map calculated using DFT and h experimental |E_┴| map for MoS₂. i Total charge map calculated from DFT for MoS₂ from the atomic model in panel (f) (scale bar indicates 0.1 nm and is applicable to panels (i) and j and j corresponding total experimental charge map