Theoretical evaluation of boron carbide nanotubes as non-enzymatic glucose sensors

Abstract

Potential applicability of pristine and Al-doped boron carbide nanotube (BCN and Al-BCN) as glucose (GLU) sensor is investigated using density functional theory. Adsorption of GLU on top of pristine BCN leads to adsorption energy (Eads), enthalpy (ΔH), and Gibbs free energy (ΔG) of −14.82, −14.35, and −0.97 kcal.mol−1, respectively. While the corresponding values for Al-BCN are calculated to be –23.29, −24.17, and −11.03 kcal.mol−1, respectively. The detection power of Al-BCN is considerably higher than that of BCN. The required time for desorption of GLU from BCN and Al-BCN is 7.04 × 10-6 and 1.12 × 101 s, respectively.