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Simulation framework. (A) Snapshot of the simulation system (side view). The dark gray cycles are the carbon atoms of the nanotube and the graphite. The light gray point is the imposed charge, and the water molecules are represented by lines. (B) Top view of the model channel system. There is no physical hole in between the SWNT and the graphite plate. The gap between the graphite plane and the SWNT is too small for a water molecule to penetrate.
