Curved Macrocyclic Nanocarbons with Tunable Electronic and Nonlinear Optical Properties: Theoretical Insights

Key Points

• This research aims to explore how curved molecular nanocarbons influence electronic properties through structure.
• Theoretical modeling of curved molecular nanocarbons.
• Analysis of π-electronic structures and their manipulation.
• Comparative study of different curvature types.
• Identified negative curvature as a key factor in electronic property modulation.
• Demonstrated enhanced nonlinear optical properties in curved nanographene.