Design of fullerene-based biomarker for detection of lead impurities

The fullerene-based molecular junction in a device configured for sensor applications in medical diagnostics has been evaluated in this study. The presence of highly carcinogenic agents such as lead is detected using this molecular device, which is configured and investigated using extended Hückel theory (EHT) and the non-equilibrium Green's function. The electrical parameters that we calculated can be employed to determine the concentration of lead impurities by evaluating its transmission coefficients and molecular orbitals. Our results suggest that the alignment of current increases with increasing impurity level (i.e., of 6, 12, and 18 lead atoms), thus indicating sensor characteristics.