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Excitonic semiconductors have been a subject of research for photovoltaicapplications for many decades. Among them, the organic polymers and smallmolecules based solar cells have now exceeded 19% power conversion efficiency(PCE). While organic photovoltaics (OPVs) are approaching maturity, the adventof strongly excitonic inorganic semiconductors such as two-dimensionaltransition metal dichalcogenides (TMDCs) has renewed interest in excitonicsolar cells due to their high-optical constants, stable inorganic structure andsub-nm film thicknesses. While several reports have been published on TMDCbased PVs, achieving power conversion efficiencies higher than 6% under one-sunAM1.5G illumination has remained challenging. Here, we perform a full opticaland electronic analysis of design, structure and performance of monolayer TMDCbased, single-junction excitonic PVs. Our computational model with optimizedproperties predicts a PCE of 9.22% in a superlattice device structure. Ouranalysis suggests that, while the PCE for 2D excitonic solar cells may belimited to < 10%, a specific power > 100 W g-1 may be achieved with ourproposed designs, making them attractive in aerospace, distributed remotesensing, and wearable electronics.

How Good Can 2D Excitonic Solar Cells Be?