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Research Highlight

3D Imaging and Precise Electronic Structure Correlations of Atomic Defects in 2D Materials

3D Imaging and Precise Electronic Structure Correlations of Atomic Defects in 2D Materials
Scanning atomic electron tomography: (a) Several projections were acquired from Re-doped MoS2 monolayer at different tilt angles to form the full reconstruction. (b) Histograms showing deviation between experimental imaging and multi-slice simulations of 3D atomic models for S, Re, and 611 Mo atoms demonstrating pm-scale precision of the measurements.

Scientific Achievement

For the first time, the three-dimensional (3D) bond distortion and local strain tensor induced by single dopants in Re-doped MoS2 monolayers were obtained with pm-precision.

Significance and Impact

Engineering 2D materials with desired properties requires characterizing the atomic structure in 3D.  The scanning atomic electron tomography method together with ab initio calculations can provide a new pathway to materials engineering at the single-atom level.

Research Details

– Developed scanning atomic electron tomography (sAET) to determine 3D coordinates of individual atoms in Re-doped MoS2 with pm-precision – Crystal defects and full 3D strain tensors obtained for the first time in MoS2 monolayers.  

X. Tian, et al., "Correlating the Three Dimensional Atomic Defects and Electronic Properties of Two-Dimensional Transition Metal Dichalcogenides," Nature Materials (2020) Early View.  DOI:10.1038/s41563-020-0636-5