Abstract
Using density functional theory (DFT) method, hexa-peri-hexabenzocoronene (HBC) and its central ring doped analogues (BN-HBC and AlN-HBC) were studied as non-enzymatic glucose sensors. The HOMO-LUMO energy gap (Eg) of pristine HBC and BN-HBC remain almost constant upon adsorption of GLU molecule, and therefore these nanographenes do not show electronic sensitivity toward GLU molecule. The Eg value of AlN-HBC decreases by about-18.48% after GLU adsorption and the electrical conductance of AlN-HBC turns out to be 1.2 x 105 times higher after adsorption of GLU molecule. AlN-HBC can behave as a selective sensor of GLU in the presence of FRU molecule.
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