Curvature-induced hybridizational shift in armchair single-walled carbon nanotubes: an ab initio study

Key Points

• Electronic properties of single-walled carbon nanotubes are significantly altered due to curvature effects.
• Ab initio calculations demonstrate how curvature affects hybridization states, impacting material behavior.
• Curvature leads to unexpected electronic transitions, indicating a complex relationship in carbon nanotube structures.
• Findings highlight the importance of structural consideration in nanomaterials for future developments.