Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
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Formation of Highly Doped Nanostripes in 2D Transition Metal Dichalcogenides via a Dislocation Climb Mechanism
Doping of materials beyond the dopant solubility limit remains a challenge, especially when spatially nonuniform doping is required. In 2D materials with a high surface‐to‐volume ratio, such as transition metal dichalcogenides, various post‐synthesis approaches to doping have been demonstrated, but full control over spatial distribution of dopants remains a challenge. A post‐growth doping of single layers of WSe2 is performed by adding transition metal (TM) atoms in a two‐step process, which includes annealing followed by deposition of dopants together with Se or S. The Ti, V, Cr, and Fe impurities at W sites are identified by using transmission electron microscopy and electron energy loss spectroscopy. Remarkably, an extremely high density (6.4–15%) of various types of impurity atoms is achieved. The dopants are revealed to be largely confined within nanostripes embedded in the otherwise pristine WSe2. Density functional theory calculations show that the dislocations assist the incorporation of the dopant during their climb and give rise to stripes of TM dopant atoms. This work demonstrates a possible spatially controllable doping strategy to achieve the desired local electronic, magnetic, and optical properties in 2D materials.
Keywords: 2D materials; doping; first-principles simulations
Advanced Materials XY(2021), XX