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. Author manuscript; available in PMC: 2008 Jun 18.
Published in final edited form as: Phys Biol. 2006 Feb 2;3(1):S40–S53. doi: 10.1088/1478-3975/3/1/S05

Figure 3.

Figure 3

Energetics of the K+-SWNT system. (a) Interaction energies between the potassium ion and the nanotube along the z-axis. (b) Force acting on the ion positioned along the z-axis. Comparison is made between a nonpolarizable nanotube model (dashed line), a polarizable nanotube model (solid line), and first principle calculations (solid circles). Inset shows the configuration of the K+-SWNT complex with the SWNT colored according to initial atomic partial charges (Blue: positive; Red: negative).