Friction Behavior and Structural Evolution of Hexagonal Boron Nitride: A Relation to Environmental Molecules Containing −OH Functional Group

Sliding contact experiments and first-principles calculations were performed to elucidate the roles of environmental molecules containing -OH functional groups on the friction behavior and structural evolution of hexagonal boron nitride (h-BN). A significant decrease in the friction coefficient (COF) is established by the physisorption and dissociative adsorption of molecules containing -OH functional groups on h-BN, compared with that in a H₂ or N₂ atmosphere. A key finding is the existence of two friction mechanisms to reconstruct the sliding interface for h-BN crystallites in humid air and carbon contaminant (CH₃OH and C₂H₅OH) atmospheres, which is verified by the friction behavior and morphologies of the wear track. There is a running-in period in the friction process to induce the formation of defects in h-BN in humid air, which facilitates dissociative adsorption of water molecules on h-BN. The formation of nanostructured water at defect sites will promote lamellar slip of h-BN crystal materials for friction reduction. In carbon contaminant environments, both molecules exhibit strong adsorption on the h-BN surface regardless of the presence of defects, thereby weakening the structural damage rate and enhancing the bearing capacity. C₂H₅OH molecules are more likely to dissociate and bind onto defect sites, endowing h-BN with high in-plane stress to form a coiled structure. h-BN in the annular or tubular form would exhibit a self-protective effect, facilitate incommensurate contact, and reduce the contact area to enhance lubrication. Our work may establish the fundamental basis for future applications of h-BN in new energy vehicles.