Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes
Figure 18
Optimized geometries of Pt-doped BNNT resulting from N-substitution (i.e., B45N44H20Pt) and B-substitution (i.e., B44N45H20Pt) and their relevant FMOs. Orbital energies are in parentheses [200]. Legend: pink = boron, navy blue = nitrogen, dark pink = platinum.
