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Molecular Interactions between Single Layered MoS2 and Biological Molecules

Abstract

Two-dimensional (2D) materials such as graphene, molybdenum disulfide (MoS2), tungsten diselenide (WSe2), and black phosphorous are being developed for sensing applications with excellent selectivity and high sensitivity. In such applications, 2D materials extensively interact with various analytes including biological molecules. Understanding interfacial molecular interactions of 2D materials with various targets becomes increasingly important for the progression of better-performing 2D-material based sensors. In this research, molecular interactions between several de novo designed alpha-helical peptides and monolayer MoS2 have been studied. Molecular dynamics simulations were used to validate experimental data. Results suggest that in contrast to peptide-graphene interactions, peptide aromatic residues do not interact strongly with the MoS2 surface. It is also found that the charged amino acids are important to ensure a standing-up pose for peptides interacting with MoS2. By performing site-specific mutation on the peptide, we could mediate the peptide–MoS2 interactions to control the peptide orientation on MoS2.

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Publication details

The article was accepted on 29 Nov 2017 and first published on 30 Nov 2017


Article type: Edge Article
DOI: 10.1039/C7SC04884J
Citation: Chem. Sci., 2017, Accepted Manuscript
  • Open access: Creative Commons BY license
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    Molecular Interactions between Single Layered MoS2 and Biological Molecules

    M. Xiao, S. Wei, Y. Li, J. Jasensky, J. Chen, C. Brooks and Z. Chen, Chem. Sci., 2017, Accepted Manuscript , DOI: 10.1039/C7SC04884J

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