Model calculations are performed to predict the nature of interaction between SWNT and a tripeptide (Lys-Trp-Lys) and to calculate the binding energies and charge transfer between these two species using density functional theory. DFT calculations indicate that the interaction is of a non covalent nature. Minimal charge transfer is observed between SWNT and Lys-Trp-Lys.
|Number of pages||5|
|Journal||E-Journal of Chemistry|
|Publication status||Published - Jul 2010|
- carbon nanotubes
- binding energy
- charge transfer