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 driftdiffusion 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.