Fig. 9: Structural evolution of graphite slabs during sliding in atomistic simulations.

a–d Two loop terminated graphite blocks in contact with one water molecule at a normal pressure of 1 GPa and the corresponding evolution of the shear stress τ(t) (e). Upon sliding, aromatic structures form at the interface. a–d Snapshots of the trajectory, duplicated in horizontal direction. f–i Snapshots and shear stress evolution (j) of a different trajectory with one water molecule and different initial conditions, during which no surface passivation occurred. k–o Snapshots and τ(t) for sliding with 5 water molecules. After ~0.17 ps the formation of passivated surfaces without free water leads to the separation of the upper and the lower graphite blocks.