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Interfacial Interactions and Tribological Behavior of Metal-Oxide/2D-Material Contacts

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Abstract

This work combines experimental atomic force microscopy (AFM) and density functional theory (DFT) simulations to study oxidized-metal (oxidized copper & titanium) and 2D-material (graphene & MoS2) interfaces. Combining AFM and DFT allowed identifying the interfacial interaction and established a correlation between tribological behavior, interfacial charge distribution, and variations in the potential energy profile with sliding along the metal/2D-materials interfaces. The TiO2 (rutile) and CuO (cupric oxide) metal oxides were mostly found to chemisorb along the interface with the 2D-materials. Both the metal-oxide counter-surfaces (TiO2 and CuO) exhibited higher friction force and adhesion on graphene than on MoS2. The CuO surface was inferred to be copper rich based on comparison with DFT simulations. The interfacial electronic charge distribution and relative energy change were identified to strongly influence sliding and adhesive behavior between oxidized-metal/2D-material contacts when considering only electronic effects in the DFT simulations. More homogenous interfacial charge distribution/sharing and lower surface energy variation, as found on the MoS2 surfaces, were identified to lower friction and adhesion. Non-electronic effects not captured by simulations were found to likely dominate interfacial shear strength measurements experimentally. Therefore, MoS2 should be used in interfacial applications involving TiO2 and copper-rich CuO surfaces requiring lower adhesion and friction.

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Funding

Hart Professorship, Natural Sciences and Engineering Research Council of Canada (NSERC), the Canada Foundation for Innovation (CFI).

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Author notes

  1. Shwetank Yadav and Taib Arif have contributed equally.

Authors and Affiliations

  1. Department of Materials Science and Engineering, University of Toronto, Toronto, Canada

    Shwetank Yadav, Yu Hui Cheng & Chandra Veer Singh

  2. Department of Mechanical and Industrial Engineering, University of Toronto, Toronto, Canada

    Taib Arif, Guorui Wang, Tobin Filleter & Chandra Veer Singh

  3. Ontario Centre for the Characterisation of Advanced Materials, Department of Chemical Engineering and Applied Chemistry, University of Toronto, Toronto, ON, M5S 3E5, Canada

    Rana N. S. Sodhi

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  1. Shwetank Yadav
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  2. Taib Arif
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Yadav, S., Arif, T., Wang, G. et al. Interfacial Interactions and Tribological Behavior of Metal-Oxide/2D-Material Contacts. Tribol Lett 69, 91 (2021). https://doi.org/10.1007/s11249-021-01464-4

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  • DOI: https://doi.org/10.1007/s11249-021-01464-4

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