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Basal-Plane Ligand Functionalization on Semiconducting 2H-MoS2 Monolayers.

Qi Ding1, Kyle J Czech1, Yuzhou Zhao1

  • 1Department of Chemistry, University of Wisconsin-Madison , 1101 University Avenue, Madison, Wisconsin 53706, United States.

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|March 24, 2017
PubMed
Summary

Researchers developed a new method to covalently functionalize molybdenum disulfide (MoS2) basal planes using thiol conjugation at sulfur vacancies. This technique allows tuning MoS2 properties for enhanced electronic and catalytic applications.

Keywords:
MoS2basal planeligand functionalizationmonolayersulfur vacancy

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Area of Science:

  • Materials Science
  • Surface Chemistry
  • Nanotechnology

Background:

  • Molybdenum disulfide (MoS2) is a 2D material with significant potential in electronics, optics, and catalysis.
  • Controlling MoS2 properties requires effective functionalization, which has been challenging on the basal plane of 2H-phase MoS2.
  • Understanding the covalent functionalization chemistry on the 2H-MoS2 basal plane is crucial for its applications.

Purpose of the Study:

  • To report a facile approach for covalent functionalization of 2H-MoS2 monolayers on their basal plane.
  • To investigate the role of sulfur vacancies in the basal plane functionalization of MoS2.
  • To demonstrate the tunability of MoS2 functionalization and its impact on material properties and applications.

Main Methods:

  • Covalent functionalization of chemical vapor deposition (CVD) grown and mechanically exfoliated MoS2 monolayers using thiol conjugation.
  • Characterization of functionalized MoS2 using various techniques to confirm thiol molecule attachment.
  • Controlled tuning of sulfur vacancy concentration via sulfur annealing to modulate the degree of functionalization.
  • Evaluation of photoluminescence response and hydrogen evolution catalytic activity of functionalized MoS2.
  • Demonstration of MoS2-based heterostructure formation using dithiol molecules and PbSe quantum dots.

Main Results:

  • Successful covalent functionalization of 2H-MoS2 monolayers on the basal plane via thiol conjugation at sulfur vacancies.
  • Experimental confirmation that sulfur vacancies are key sites for basal plane functionalization.
  • Demonstrated effective tuning of MoS2 functionalization degree by controlling sulfur vacancy concentration.
  • Observed enhanced photoluminescence and reduced hydrogen evolution activity in functionalized MoS2 due to sulfur vacancy passivation.
  • Fabricated MoS2-based heterostructures by linking MoS2 and PbSe quantum dots.

Conclusions:

  • Developed a new, facile method for covalent functionalization of 2H-MoS2 basal planes through thiol conjugation at sulfur vacancies.
  • Established the critical role of sulfur vacancies in enabling basal plane functionalization and demonstrated tunability.
  • Showcased the potential of this functionalization strategy for enhancing MoS2 properties, improving photoluminescence, and creating novel heterostructures for diverse applications.