Mechanically reliable and electronically uniform monolayer MoS2 by passivation and defect healing

Boran Kumral, Nima Barri, Pedro G. Demingos, Gokay Adabasi, Andrew Grishko, Guorui Wang, Jimpei Kawase, Momoko Onodera, Tomoki Machida, Mehmet Z. Baykara, Chandra V. Singh () and Tobin Filleter ()
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Boran Kumral: University of Toronto
Nima Barri: University of Toronto
Pedro G. Demingos: University of Toronto
Gokay Adabasi: University of California Merced
Andrew Grishko: University of California Merced
Guorui Wang: University of Science and Technology of China
Jimpei Kawase: University of Tokyo
Momoko Onodera: University of Tokyo
Tomoki Machida: University of Tokyo
Mehmet Z. Baykara: University of California Merced
Chandra V. Singh: University of Toronto
Tobin Filleter: University of Toronto

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: Abstract Monolayer molybdenum disulfide (MoS₂), a two-dimensional transition metal dichalcogenide (2D TMD), is at the forefront of logic device scaling efforts due to its semiconducting properties, good carrier mobility, and atomically thin structure. However, the high defect density of monolayer MoS2 hinders its reliability for long-term, device-scale applications. Here, we show that a superacid treatment, previously shown to enhance the photoluminescence efficiency of sulfur-based 2D TMDs by two orders of magnitude, also improves the mechanical reliability and electronic uniformity of monolayer MoS₂. Treated samples exhibit a ~2× increase in static fatigue reliability, a ~10× improvement in cyclic wear reliability, and no premature failure during mechanical testing. X-ray photoelectron spectroscopy confirms reduced defect density, while ab initio molecular dynamics and density functional theory suggest that passivation delays failure propagation and reduces vacancy-induced stress. Finally, atomic-resolution conductive atomic force microscopy shows a drastically more uniform current distribution due to elimination of midgap states.

Date: 2025
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DOI: 10.1038/s41467-025-62370-0

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