Theoretical Investigation on Single-Wall Carbon Nanotubes Doped with Nitrogen, Pyridine-Like Nitrogen Defects, and Transition Metal Atoms

<table>Geometrically optimized structures of the configurations for (10, 0) tubes containing two substitutional nitrogen atoms per five tube units denoted by (a) NS1—(g) NS7, respectively, and the bandstructures of (h) NS5 and (i) NS7 configurations. Substitutional nitrogen atoms are denoted by blue balls, and grey ball is C atom.</table>

Journal of Nanomaterials

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Figure 3

Figure 3: Theoretical Investigation on Single-Wall Carbon Nanotubes Doped with Nitrogen, Pyridine-Like Nitrogen Defects, and Transition Metal Atoms 