Research Highlight

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

Published:
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