anisotropic wetting characteristics of water droplet on phosphorene: a molecular dynamics simulation approach

In this study, using reactive molecular dynamics (md) simulations, we investigated the structure and dynamic properties of water on the black phosphorene. our simulations indicate that the diffusion of water molecules on the black phosphorene surface is anisotropic, which is in agreement with the recently reported experimental data. moreover, the contact angle of water on phosphorene is proportional to the zigzag and armchair directions of surface. these findings thereby offer helpful insights into the mechanism of the wetting and transport of water at nanoscale, and provide a better foundation for future biomedical applications of phosphorene.