Fig. 4: Defect-state photoluminescence spectra for different chiralities.

a PL spectra for single-chirality enriched samples functionalized through the oxygen-free photoreaction. The black curve shows emission from (6,5) (excited at 570 nm). The red curve shows emission from (7,6) (excited at 662 nm). The blue curve is emission from (10,3) (excited at 640 nm). The pink curve is emission from (9,1) (excited at 700 nm). The green curve is emission from (11,0) (excited at 760 nm). E₁₁*(o) and E₁₁**(o) represents defect-state emission arising from ortho binding configurations, while E₁₁*(p) and E₁₁**(p) are defect-state emission arising from para binding configurations. b Energy shifts of defect-state emission from band-edge exciton vs pristine emission energy. Different E₁₁ energies correspond to different SWCNT chiralities that are labeled in the figure. Black squares represent energy shifts of E₁₁* defect-state emission obtained through the oxygen-involved photoreaction. Red circles and blue triangles represent energy shifts of E₁₁* and E₁₁** emission, respectively (obtained under argon conditions). c Ground state HOMO-LUMO (HL) energy shifts \({\varDelta E}_{{HL}}={E}_{{HL}}^{{Pristine}}-{{E}}_{{HL}}^{{Defect}}\) as a function of HL energy in pristine nanotube, calculated using DFT. The color of the symbols represents the chemical composition of suggested auxiliary group: Aryl-NH₂/H (red) in argon and aryl-NH₂/OH (black) in Air. The symbol shape and fill-type represent the defect configurations: ortho(++) (filled circles), ortho(−) (filled triangles), para(++) (open circles), and para(−) (open triangles). The fitted curves demonstrate the same trends as seen in b, where the deviation between E₁₁* energies in air and argon is attributed to the auxiliary attachment of either H or OH groups.