Figure 6.
Molecular dynamics (MD) simulations of Hg-atom diffusion in graphene interlayer spaces containing water. The diffusivity of a tracer Hg-atom is seen to decrease with decreasing interlayer spacing, and Hg becomes immobile below 7 Å spacing. Inset shows a graphene interlayer region with with 8 Å spacing, and one mercury atom (blue) in water (red-grey beads). The dashed line gives the known diffusivity of Hg in bulk water.