Theoretical studies of urea adsorption on single wall boron-nitride nanotubes

- DFT base investigations of urea molecule with various type of armchair BNNTs studied.
- The adsorption of urea molecule is observed to be exothermic and physical in nature.
- The most effective interaction occurs when urea located inside of BNNTs.
- The electronic analysis indicated ΔEg values changed after urea adsorption.