Fig. 2
4D STEM around 1D line defects in MoS2 and WS2. a Perspective view of an atomic model of the 1D vacancy line consisting of 2S missing atomic rows. b Atomic model of an MoS2 line defect (2S), red indicates 1S and orange 2S. c LAADF image of a line defect area in MoS2 reconstructed from 4D STEM data. Scale bar indicates 0.3 nm and is applicable for panels (b)−(g). d Phase map of a line defect area in MoS2 from ptychography using 4D STEM data. e Experimental |E┴| map around a line defect in MoS2: Icomx, normalized and scaled to match the DFT values. f DFT calculations of |E┴| around a line defect in MoS2. g Total charge map (q/Å2) around line defect in MoS2 from 4D STEM data, scaled and normalized to match DFT range. h Electron charge density map (electrons/Å2) around a line defect in MoS2 calculated from DFT. Scale bar indicates 0.2 nm and is applicable for panel (i). i Map as in (h), scaled to emphasize the electron density in the Mo−Mo channel region. j Atomic model of line defect in WS2 (2S form). Red indicates 1S and orange 2S. k LAADF image of a line defect in WS2 reconstructed from 4D data. Scale bar indicates 0.3 nm and is applicable for panels (j)−(m). l |E┴| map around line defect in WS2 from 4D STEM data: Icomx, normalized and scaled to the range to match the DFT values. m Total charge map (q/Å2) around a line defect in WS2, scaled and normalized to match DFT range. White ovals indicate metallic bonding region in 1D channel. n DFT calculated plot of the in-gap states (red) for WS2 2SV line defect. o Magnified view of the DFT calculated plot of in-gap states (red mesh) from (n)
