A theoretical study on tunneling based biosensor having a redox-active monolayer using physics based simulation

Abstract

We developed a numerical simulator to model the operation of a tunneling based biosensor which has a redox-active monolayer. The simulator takes a realistic device structure as a simulation domain, and it employs the drift-diffusion equation for ion transport, the non-equilibrium Green's function formalism for electron tunneling, and the Ramo-Shockley theorem for accurate calculation of non-faradaic current. We also accounted for the buffer reaction and the immobilized peptide layer. For efficient transient simulation, the implicit time integration scheme is employed where the solution at each time step is obtained from the coupled Newton-Raphson method. As an application, we studied the operation of a recently fabricated reference-electrode free biosensor in various bias conditions and confirmed the effect of buffer reaction and the current flowing mechanism. Using the simulator, we also found a strategy to maximize the sensitivity of the tunneling based sensor.