Numerical Modeling of Photovoltaic Effects in van der Waals Heterojunctions

This work investigates the transport properties of a 2D Transition Metal Dichalcogenide van der Waals heterobilayer-based gated diode under illumination for optoelectronic applications. To do so, we make use of the numerical solution of the van Roosbroeck system within the framework of the drift-diffusion approximation and Fermi-Dirac statistics. Interlayer charge transfer is accounted for both in the dark and illuminated situations. This description successes in reproducing the expected quasi-Fermi level splitting and the photovoltaic effect and provides a comprehensive physical description of the involved magnitudes.