Spectroscopic Differentiation of Structural Transitions from Carbon Nanobelts to Carbon Nanotubes.

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