Ambient humidity introduces water adsorption and intercalation at the surfaces and interfaces of low-dimensional materials. Our extensive molecular dynamics (MD) simulations reveal the completely opposite contributions of interfacial water to… Click to show full abstract
Ambient humidity introduces water adsorption and intercalation at the surfaces and interfaces of low-dimensional materials. Our extensive molecular dynamics (MD) simulations reveal the completely opposite contributions of interfacial water to the peeling of monolayer graphene and hexagonal boron nitride (h-BN) sheets from graphite and BN substrates. For graphene, interfacial water decreases the peeling force, due to lower adhesion at the graphene/water interface. The peeling force of h-BN increases with an increase in the thickness of interfacial water, owing to stronger adhesion at the h-BN/water interface and the detachment of the water layer from the substrates. In this work, a theoretical model considering graphene/water and water/substrate interfacial adhesion energies is established, to predict the peeling forces of graphene and h-BN, which coincides well with the peeling forces predicted by the MD simulations. Our results should provide a deeper insight into the effect of interfacial water, induced by ambient humidity, on mechanical exfoliation and the transfer of two-dimensional van der Waals crystals.
               
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