Zigzag SWNT-amino acid interactions: Theoretical insights

The present report focuses on the interactions of a semi-conductor zigzag (10, 0) (or ZNT for short) single walled carbon nanotube (SWNT) with amino acids. Based on our analysis of multiple configurations we have calculated the most molecular complex that form is between the ZNT and arginine, cysteine, as well as lysine amino acids. Biochemical classifications have been presented and discussed with relation to the stability of the optimized structures. The observed trends in dissociation energies are related to the backbone structure of the corresponding amino acids.