The Role of Electron–Electron Interaction in Charge Transport Calculations through Transition Metal Dichalcogenides Heterojunctions

2D materials have raised a lot of interest in the last decades, due to their novel and diverse properties, particularly for energy technology applications where such as molybdenum disulfide are known outstanding catalytic ability. While intensive research is devoted transition metal dichalcogenide (TMDCs) semiconductor characterization, comprehensive understanding metal/semiconductor heterojunctions still lacking especially junctions containing metallic monolayers other than graphene. Using wave-packet propagation, charge transport two electrons through simulated, order assess influence electron–electron interaction on efficiency. TMDCs with similar structure both used, leading high-quality contact. It found that more efficient systems chromium monolayer compared MoS2 or tungsten disulfide. This trend efficiency same without interaction, demonstrating validity qualitative input provided by models lack interactions. Nevertheless, all systems, increases transmission probability from semiconductor, electronic repulsion pushes one carriers forward across interface.