Influences of ambient temperature, charge density on wettability properties of monolayer MoS 2 films

Molecular dynamics (MD) simulations focusing on the interactions between MoS 2 films and water droplets are carried out in this article. First, the wettability of an ideal MoS 2 film is investigated at room temperature, then the influences of ambient temperature and charge density of the MoS 2 film on the wetting behaviors of water droplets on the film are also discussed. The simulation results indicate that the ideal MoS 2 film is slightly hydrophobic, and the ambient temperature plays a negative role during the wetting processes. The observations also show that, once charged, the wetting property of MoS 2 changes massively, from slightly hydrophobic to super-hydrophilic.