Revisiting the Wettability of Graphene

Since its discovery in 2004, graphene has been the main focus of many researchers as they study its unique structure and properties. This two-dimensional, hexagonal carbon lattice has been proven to be a well-suited material for use in small molecule gas sensors, surface coatings, lubricants, etc. In studying the water wettability of graphene, studies first demonstrated that graphene is a hydrophobic material. However, more recent experiments have suggested that graphene is intrinsically hydrophilic. Based on the ambiguity of these conclusions, further studies must be done to find some clarity on the precise nature of the interactions between graphene and water. In this theoretical work, we use density functional theory to study the adsorption of water on graphene-based substrates and in the presence of ambient gases to determine surface water wettability of graphene.