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

Author

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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)

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.

Suggested Citation

  • 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 & Tobin Filleter, 2025. "Mechanically reliable and electronically uniform monolayer MoS2 by passivation and defect healing," Nature Communications, Nature, vol. 16(1), pages 1-11, December.
  • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-62370-0
    DOI: 10.1038/s41467-025-62370-0
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    3. Yuan Huang & Yu-Hao Pan & Rong Yang & Li-Hong Bao & Lei Meng & Hai-Lan Luo & Yong-Qing Cai & Guo-Dong Liu & Wen-Juan Zhao & Zhang Zhou & Liang-Mei Wu & Zhi-Li Zhu & Ming Huang & Li-Wei Liu & Lei Liu &, 2020. "Universal mechanical exfoliation of large-area 2D crystals," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
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