IMPACT OF MATERIAL ORIENTATION ON INTERFACIAL PROPERTIES IN TWO-DIMENSIONAL MATERIALS

Molybdenum disulfide (MoS2) and hexagonal boron nitride (hBN) are well-known two-dimensional (2D) materials with a wide range of potential uses in nanofluidics and water treatment. Their performance in these domains is critically influenced by their interactions with liquids, however. This study investigates the role of material orientation in determining the interfacial properties of 2D materials, focusing on wetting behavior and hydrodynamic friction. Using molecular dynamics simulations, this study analyzes the impact of crystallographic orientation on water contact angle and water slip length, aiming to guide the design of optimized 2D materials for nanofluidic and desalination applications. The results reveal that the basal plane of MoS2 demonstrates greater hydrophilicity than the basal plane of hBN. On the other hand, the zigzag plane of hBN exhibits higher hydrophilicity than the basal plane of MoS2 .