What Has Been Achieved
A new type of strong coupling between isoelectronic substitutional dopants (Mo dopants) and common lattice defects (sulfur vacancies) has been identified in WS2 by their ~80% probability of co-localization using aberration-corrected scanning transmission electron microscopy. The coupling mechanism and the Mo dopant’s ability to facilitate the charging of sulfur vacancies is identified using first-principles density functional theory calculations.
Importance of Achievement
Innocuous isoelectronic dopants can act as “vacancy collectors” that attract undesirable vacancies to inactive areas of a 2D chalcogenide device, thanks to their strong coupling with vacancies.
Unique Features of the MIP That Enabled Project
Close collaboration between synthesis, characterization, and theory efforts.
A. Azizi, Y. Wang, G. Stone, A. L. Elias, Z. Lin, M. Terrones, V. H. Crespi, and N. Alem, “Defect Coupling and Sub-Angstrom Structural Distortions in W1–xMoxS2Monolayers”, Nano Lett. 17, 2802 (2017).