Diffusion of Water Nanodroplets on MoS$_{\mathrm{2}}$ Monolayer

ORAL

Abstract

Diffusion of water (H$_{\mathrm{2}}$O) on the molybdenum disulfide (MoS$_{\mathrm{2}})$ surface has recently attracted a great deal of attention. We have performed molecular dynamics (MD) simulation to study the diffusion of water nanodroplets on a monolayer of MoS$_{\mathrm{2}}$. Our simulation reveals that water nanodroplets diffuse rapidly on the MoS$_{\mathrm{2}}$ monolayer and the diffusion coefficient is inversely proportional to the nanodroplet radius. We also find that the H$_{\mathrm{2}}$O molecular distribution at the H$_{\mathrm{2}}$O-MoS$_{\mathrm{2}}$ interface is akin to the MoS$_{\mathrm{2}}$ layered structure and that friction coefficients of nanodroplets are small at the MoS$_{\mathrm{2}}$ surface.

Authors

  • Beibei Wang

    CACS, Dept. of Physics & Astronomy, University of Southern California

  • Rajiv Kalia

    Univ of Southern California, CACS Mork Family Department of Chemical Engineering and Material Science, Department of Physics, University of Southern California, University of Southern California, CACS, Dept. of Physics & Astronomy, Dept. of Chemical Engineering & Materials Science, Dept. of Computer Science, University of Southern California, CACS, Department of Physics and Astronomy, Department of Chemical Engineering and Materials Science, Collaboratory of Advanced Computing and Simulations Department of Physics and Astronomy,University of Southern California

  • Priya Vashishta

    Univ of Southern California, CACS Mork Family Department of Chemical Engineering and Material Science, Department of Physics, University of Southern California, University of Southern California, CACS, Dept. of Physics & Astronomy, Dept. of Chemical Engineering & Materials Science, Dept. of Computer Science, University of Southern California, CACS, Depts. of Physics & Astronomy, Computer Science, and Chemical Engg. & Material Science, USC, CACS, Department of Physics and Astronomy, Department of Chemical Engineering and Materials Science, Collaboratory of Advanced Computing and Simulations Department of Physics and Astronomy,University of Southern California, CACS, Depts. of Physics & Astronomy, Computer Science, and Chemical Engg. and Material Science, USC

  • Aiichiro Nakano

    Univ of Southern California, CACS Mork Family Department of Chemical Engineering and Material Science, Department of Physics, University of Southern California, University of Southern California, CACS, Dept. of Physics & Astronomy, Dept. of Chemical Engineering & Materials Science, Dept. of Computer Science, University of Southern California, CACS, Department of Physics and Astronomy, Department of Chemical Engineering and Materials Science, Collaboratory of Advanced Computing and Simulations Department of Physics and Astronomy,University of Southern California