| Abstrak/Abstract |
The interaction of dopamine and Si-, Sn-, and BN-doped fullerenes was studied using the
density functional theory (DFT). Adsorption energies of dopamine–C60, dopamine–C59Si,
dopamine–C58Sn, and dopamine–C58BN were -0.03 eV, -1.46 eV, -0.06 eV, and -0.05 eV,
respectively. All systems had negative adsorption energies, indicating that dopamine can be adsorbed
on fullerene. Furthermore, dopamine–C59Si had the smallest value and was chemisorbed, as shown
by a covalent bond between Si of fullerene and N of dopamine. Therefore, C59Si has a plausible
potential as a drug carrier for dopamine molecules |
