Journal
SMALL
Volume 19, Issue 6, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/smll.202205800
Keywords
2D transition metal dichalcogenides; density functional theory; doping; edge termination; heterogeneity; in-plane heterostructures
Ask authors/readers for more resources
Controlling the density and spatial distribution of substitutional dopants in semiconductors is essential for achieving desired physicochemical properties. This study demonstrates that edge termination is an important characteristic of 2D transition metal dichalcogenide monocrystals that affects the distribution of substitutional dopants. By utilizing chemical vapor deposition, it is found that sulfur-terminated domains have a higher density of dopants compared to tungsten-terminated domains in monolayer WS2. This edge-dependent dopant distribution can be utilized as a novel technique for engineering the spatial distribution of substitutional dopants in crystalline TMD monolayers.
The ability to control the density and spatial distribution of substitutional dopants in semiconductors is crucial for achieving desired physicochemical properties. Substitutional doping with adjustable doping levels has been previously demonstrated in 2D transition metal dichalcogenides (TMDs); however, the spatial control of dopant distribution remains an open field. In this work, edge termination is demonstrated as an important characteristic of 2D TMD monocrystals that affects the distribution of substitutional dopants. Particularly, in chemical vapor deposition (CVD)-grown monolayer WS2, it is found that a higher density of transition metal dopants is always incorporated in sulfur-terminated domains when compared to tungsten-terminated domains. Two representative examples demonstrate this spatial distribution control, including hexagonal iron- and vanadium-doped WS2 monolayers. Density functional theory (DFT) calculations are further performed, indicating that the edge-dependent dopant distribution is due to a strong binding of tungsten atoms at tungsten-zigzag edges, resulting in the formation of open sites at sulfur-zigzag edges that enable preferential dopant incorporation. Based on these results, it is envisioned that edge termination in crystalline TMD monolayers can be utilized as a novel and effective knob for engineering the spatial distribution of substitutional dopants, leading to in-plane hetero-/multi-junctions that display fascinating electronic, optoelectronic, and magnetic properties.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available