Reaction Kinetics for the Covalent Functionalization of Two-Dimensional MoS 2 by Aryl Diazonium Salts

Duo O. Li, Ximo S. Chu, Qing Wang

Research output: Contribution to journalArticlepeer-review

23 Scopus citations


The two-dimensional transition-metal dichalcogenide molybdenum disulfide (MoS 2 ) has been intensely studied in the past several years due to its exceptional electronic, optical, and chemical properties in a wide range of applications. The chemical functionalization of MoS 2 allows its properties and interfacial interactions to be tuned and controlled. Recently, we reported the direct covalent functionalization of semiconducting MoS 2 with aryl diazonium salts, without the use of harsh initial treatments or phase engineering. In this paper, we confirm and expand the covalent functionalization reaction model by performing a detailed study of the reaction kinetics for monolayer MoS 2 functionalized by 4-nitrobenzene tetrafluoroborate (4-NBD). We find that both the Freundlich and Temkin isotherm models are good descriptors of the reaction due to the energetically inhomogeneous surface of MoS 2 and the indirect adsorbate-adsorbate interactions from previously attached nitrophenyl groups, respectively. The reaction kinetics was then found to be well described using a pseudo-second-order model, showing that the order of this reaction is two. This study supports our previous work and gives us a deeper understanding of the nature of the covalent functionalization of MoS 2 .

Original languageEnglish (US)
Pages (from-to)5693-5701
Number of pages9
Issue number17
StatePublished - Apr 30 2019

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry


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