Dewetting of Water-Isopropanol Monolayers Between MoS2 Membranes

ORAL

Abstract

Wetting and dewetting phenomena are important in the synthesis of layered materials by liquid-phase exfoliation. We perform molecular dynamics (MD) simulations to study dewetting of a monolayer of H2O and H2O-isopropanol (IPA) mixtures between two atomically thin MoS2 membranes. Our simulations reveal rapid dewetting in which dry patches on MoS2 move at a speed of 500 m/s with the solvent forming nanodroplets. The dynamic contact angles of solvent nanodroplets during dewetting are different from that of a standalone droplet on an MoS2 surface. We also investigate dewetting of H2O-IPA mixtures with different IPA concentrations. Results for the structure and dynamics of nanodroplets of water and H2O-IPA mixtures after dewetting will be reported.

Presenters

  • Beibei Wang

    Univ of Southern California

Authors

  • Beibei Wang

    Univ of Southern California

  • Rajiv Kalia

    Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California

  • Aiichiro Nakano

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

  • Priya Vashishta

    Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California