Influences of ambient temperature, charge density on wettability properties of monolayer MoS2 films

Molecular dynamics (MD) simulations focusing on the interactions between MoS2 films and water droplets are carried out in this article. First, the wettability of an ideal MoS2 film is investigated at room temperature, then the influences of ambient temperature and charge density of the MoS2 film on the wetting behaviors of water droplets on the film are also discussed. The simulation results indicate that the ideal MoS2 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 MoS2 changes massively, from slightly hydrophobic to super-hydrophilic.