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Friction is one of the main sources of dissipation at liquid water/solidinterfaces. Despite recent progress, a detailed understanding of water/solidfriction in connection with the structure and energetics of the solid surfaceis lacking. Here we show for the first time that \textit{ab initio} moleculardynamics can be used to unravel the connection between the structure ofnanoscale water and friction for liquid water in contact with graphene and withhexagonal boron nitride. We find that whilst the interface presents a verysimilar structure between the two sheets, the friction coefficient on boronnitride is $\approx 3$ times larger than that on graphene. This comes aboutbecause of the greater corrugation of the energy landscape on boron nitridearising from specific electronic structure effects. We discuss how a subtledependence of the friction on the atomistic details of a surface, that is notrelated to its wetting properties, may have a significant impact on thetransport of water at the nanoscale, with implications for the development ofmembranes for desalination and for osmotic power harvesting.

Friction of Water on Graphene and Hexagonal Boron Nitride from ab initio Methods: Very Different Slippage Despite Very Similar Interface Structures