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Abstract Two‐dimensional (2D) transition metal dichalcogenides (TMDCs) have gained much attention due to their excellent electronic and optoelectronic properties. The reasonable band gap, higher light‐matter interaction, hundreds of categories as well as wafer‐scale growth and Si‐compatible fabrication etc. proof their immense potential for next‐generation solar cells. Over the past years, a variety of specific device structure are investigated including multi‐field tunable 2D TMDCs‐based photovoltaic solar cell since its electronic structure is easily tunable. Their work function distributes in a wide range which facilitate interfacial modulation and optimize the electron/hole transfer layer in perovskite‐/organic‐based photovoltaic solar cell. In this review, the recent developments of TMDCs in photovoltaic solar cell are comprehensively described. First, the energy diagram of traditional semiconductor and 2D TDMCs are discussed. Then, 2D TMDCs‐based photovoltaic solar cell is introduced considering the homojunction, heterojunction and Schottky‐junction as well as their multi‐field tunability. Third, the role of 2D TMDCs layer as photosensitive layer and modifying layer in silicon‐based solar cells, as well as their applications in perovskite‐/organic‐based solar cells are summarized considering their role of electron/hole transfer layer or active layer. Lastly, the prospect for future materials, device and process trends and practical applications of TMDCs‐based photovoltaic solar cell are presented.
Zhou et al. (Tue,) studied this question.