Spectroscopic\nDifferentiation of Structural Transitions\nfrom Carbon Nanobelts to Carbon Nanotubes

In this study, simulated X-ray photoelectron spectroscopy\n(XPS)\nand Raman spectroscopy were utilized to differentiate the early stage\nstructures as carbon nanobelts (CNBs) evolved into carbon nanotubes\n(CNTs). The effects of edge type, length, and diameter on the spectroscopic\ncharacteristics of armchair and zigzag CNTs were examined. Variations\nin XPS spectra were found to correspond to changes in the bandgap,\nwhile Raman spectra provided distinct bands associated with specific\nstructural features. Notably, in armchair CNTs, the C 1s XPS peak\npositions exhibited clear differences depending on the structure.\nAdditionally, the Kekulé vibration band and other characteristic\nbands in Raman spectra varied with length and diameter, enabling \ndifferentiation of armchair CNT structures. Although the structural\nanalysis of zigzag CNTs was challenging using XPS, Raman spectroscopy\nproved to be effective in distinguishing structural differences. This\nstudy lays the groundwork for future spectroscopic analyses, contributing\nto the broader understanding of nanocarbon materials such as CNBs\nand CNTs and their potential applications in advanced electronic materials.