@misc{10481/103501, year = {2025}, month = {2}, url = {https://hdl.handle.net/10481/103501}, abstract = {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.}, organization = {Research project CNS2023-143727 RECAMBIO funded by MCIN/AEI/10.13039/501100011033}, organization = {European Union NextGenerationEU/PRTR}, organization = {Research projects PID2023-150162OB-I00 and TED2021-129769B-I00 FlexPowHar funded by MCIN/AEI/10.13039/501100011033}, organization = {P21_00149 ENERGHENE funded by Consejería de Universidad, Investigación e Innovación de la Junta de Andalucía}, organization = {R+D+i project A-ING-253-UGR23 AMBITIONS co-financed by Consejería de Universidad, Investigación e Innovación}, organization = {European Union under the FEDER Andalucía 2021-2027}, publisher = {IEEE}, keywords = {Device simulation}, keywords = {2D materials}, keywords = {Van der Waals heterostructures}, title = {Modeling of van der Waals-Based Photovoltaic Devices}, doi = {10.1109/JEDS.2025.3542168}, author = {Díaz Burgos, Ángel Alonso and González Marín, Enrique and Pasadas Cantos, Francisco and García Ruiz, Francisco Javier and Godoy Medina, Andrés}, }