Simulation of field-effect Biosensors (BioFETs)

In this paper a bottom-up approach for modeling field-effect biosensors (BioFETs) is developed. Starting from the given positions of charged atoms, of a given molecule, the charge and the dipole moment of a single molecule are calculated. This charge and dipole moment are used to calculate the mean surface density and mean dipole moment at the biofunctionalized surface, which are introduced into homogenized interface conditions linking the Angstrom-scale of the molecule with the micrometer-scale of the FET. By considering a single-stranded to double-stranded DNA reaction, we demonstrate the capability of a BioFET to detect a certain DNA and to resolve the DNA orientation.