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. Author manuscript; available in PMC: 2013 Jul 17.
Published in final edited form as: Environ Sci Technol. 2012 Jul 3;46(14):7717–7724. doi: 10.1021/es301377y

Figure 6.

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.