Towards the development of MoS2/c-Si heterojunction photovoltaics

We present the first steps toward the development of MoS2/Si heterojunctions photovoltaics, essentially for integrated photonic devices applications. Therefore, we conjugate numerical device simulation, optical and structural characterizations, and density functional theory calculations. Through numerical device simulation, we show the potential of such solar cells, with attainable power conversion efficiencies of about 20%. Optical and structural characterizations of thin 2H-MoS2 layers deposited on SiO2 80nm/Si (001) substrates provides a path for the optimization of the 2D MoS2 material. With DFT calculations, we open the door for the optimization of the MoS2/Si interface, which is crucial for the device performances.