Observation of the superstructural diffraction peak in the nitrogen doped carbon nanotubes: Simulation of the structure

A superstructural peak at ∼12° in X-ray diffraction patterns of nitrogen-doped carbon nanotubes compared to the undoped carbon nanotubes was observed and assigned to the formation of spatially ordered defects. The simulation of the N-CNT structure using the graphitic g-C₃N₄ phase and turbostratic ordering made it possible to propose a new model of the spatially ordered defects in the N-CNT layer, which consist of clusters of carbon vacancies and pyridine-like nitrogen. A correlation between this type of defects and electrical conductivity of the N-CNTs is defined.