Thickness-dependent photoelectric properties of MoS₂/Si heterostructure solar cells

In order to obtain the optimal photoelectric properties of vertical stacked MoS₂/Si heterostructure solar cells, we propose a theoretical model to address the relationship among film thickness, atomic bond identities and related physical quantities in terms of bond relaxation mechanism and detailed balance principle. We find that the vertical stacked MoS₂/Si can form type II band alignment, and its photoelectric conversion efficiency (PCE) enhances with increasing MoS₂ thickness. Moreover, the optimal PCE in MoS₂/Si can reach 24.76%, inferring that a possible design way can be achieved based on the layered transition metal dichalcogenides and silicon.