Single-Chirality Separation and Optical Properties of (5,4) Single-Wall Carbon Nanotubes

In this study, high-purity single-chirality (5,4) and (6,4) single-wall carbon nanotubes (SWCNTs) were efficiently extracted using gel chromatography, and their optical properties were investigated. In the photoluminescence spectrum, the (5,4) SWCNTs exhibited multiple emission peaks, such as E-11* at 968 and E-11*(-) at 1096 nm, in addition to the original E-11 peak at 829 nm for the E-22 excitation. Although the (6,4) SWCNTs also exhibited similar emission peaks, the intensity of the additional peaks relative to the E11 peak was approximately four times lower than that of (5,4) SWCNTs, even though the same separation procedure was used for both species. The results from density functional theory calculations indicated that both the E-11* and E-11*(-) emissions originated as emissions from the oxide states. Because no oxidation were performed on the samples, these oxides were most likely spontaneously produced during the sample preparation process. Theoretical results indicated that the (5,4) SWCNT possesses a more stable ether-a-O structure that could cause the E-11* emission. The difference in the stability of the oxide states for (5,4) SWCNT and (6,4) SWCNT strongly suggests that the (5,4) SWCNT is more likely to be oxidized by weak stimulation. These results indicate that the (5,4) SWCNT remained near the outside of the robust structure due to its strong curvature effects.