Modeling of van der Waals-Based Photovoltaic Devices Díaz Burgos, Ángel Alonso González Marín, Enrique Pasadas Cantos, Francisco García Ruiz, Francisco Javier Godoy Medina, Andrés Device simulation 2D materials Van der Waals heterostructures Two-dimensional Transition Metal Dichalcogenide-based van der Waals heterostructures have been proposed for avant-garde, highly scalable optoelectronic and excitonic devices. Although ab initio techniques have been thoroughly employed to analyze these confined systems from a microscopic perspective, a robust mesoscopic description for device-scale simulation is still lacking. In this work, we account for the recent reports on the role of interlayer excitons and the band alignment in van der Waals-based optoelectronic devices, developing an extended van Roosbroeck system within the framework of the Drift-Diffusion approximation. Ultrafast interlayer charge transfer of photo-generated carriers is incorporated effectively, as is interlayer recombination. This description succeeds in reproducing selected experimental measurements of a van der Waals-based gated-diode, providing a comprehensive physical description of the involved magnitudes. 2025-04-07T12:38:45Z 2025-04-07T12:38:45Z 2025-02-14 journal article Á. A. Díaz-Burgos, E. G. Marin, F. Pasadas, F. G. Ruiz and A. Godoy, "Modeling of van der Waals-Based Photovoltaic Devices," in IEEE Journal of the Electron Devices Society, vol. 13, pp. 219-227, 2025, [doi: 10.1109/JEDS.2025.3542168] https://hdl.handle.net/10481/103501 10.1109/JEDS.2025.3542168 eng http://creativecommons.org/licenses/by-nc-nd/4.0/ open access Attribution-NonCommercial-NoDerivatives 4.0 Internacional IEEE