Review Article

Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

Figure 6

Optimized geometries, DOS, and LDOS of (a) C 2 0 0 H 2 0 ( 𝜀 H O M O = 4 . 3 5  eV, 𝜀 L U M O = 2 . 9 7  eV) and (b) C199H20 ( 𝜀 H O M O = 4 . 2 1  eV, 𝜀 L U M O = 3 . 3 7  eV). L1−L4 are the LDOS for the specified layer of atoms [81].
801789.fig.006a
(a) DOS of C200 H20
801789.fig.006b
(b) DOS of C199H20