Theoretical investigation of using armchair and zigzag ‎carbon nano rings for DNA sequencing based on density ‎functional theory

Based on density functional theory (DFT) at the B3LYP level, we investigated interaction of DNA nucleobases with carbon nano-rings in armchair and zigzag shapes. Van der Waals correction was applied to describe long range term bipolar interaction. Results indicate that a net electric charge not transferred between bases nano-rings. This indicates is physical type. Outcomes show following order for strength nano-ring (9,9) four nucleobases: guanine > adenine cytosine thymine. The corresponding (15.0) ≈ thymine, suggesting may have potential specify sequencing DNA.