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. Author manuscript; available in PMC: 2008 Jun 30.
Published in final edited form as: J Phys Chem B. 2005 Jun 16;109(23):11461–11467. doi: 10.1021/jp050420g

Figure 3.

Figure 3

Band gap variation of a (6,6) nanotube as a function of tube length computed by both TB (circles) and B3LYP (squares) methods for the ideal nanotube geometry. Band gaps for the energy optimized geometry from the B3LYP calculation are also shown (stars).