A numerical approach to optimize the efficiency of a novel HTL-free Sr3Ti2S7 Ruddlesden-Popper perovskite solar cell

Abstract

The exceptional environmental and structural stability of two-dimensional Ruddlesden-Popper perovskites has made them appealing candidates for high-performance perovskite solar cells. Besides, Ruddlesden-Popper perovskites can be synthesized using low-cost solution processing and have tunable bandgaps as compared to their conventional three-dimensional counterparts. Therefore, a Ruddlesden–Popper perovskite solar cell has been reported in this investigation and the SCAPS program has been used to theoretically study the device performance of the proposed lead-free, environmentally friendly perovskite solar cell. A novel Sr3Ti2S7 material has been utilized as the light absorber for the first time in such a theoretical study. Two different configurations, employing WS2 and C60 electron transport layers have been presented and device simulations have been performed to optimize the solar cell. The utilization of C60 as an electron transport material did not prove to be beneficial for the solar cell as it suffered from major recombination losses. It was also found that higher doping concentration of the electron transport materials could help these cells achieve improved fill factor. The diffusion length of the electrons and holes with respect to absorber defect density was also determined. Mott-Schottky analysis proved that the ITO/C60/Sr3Ti2S7/Au structure had a lower flatband potential compared to ITO/WS2/Sr3Ti2S7/Au. Additionally, from the impedance spectroscopy results, the recombination lifetime of the ITO/WS2/Sr3Ti2S7/Au configuration was found to be 46.7 μs compared to only 12.9 μs for the ITO/C60/Sr3Ti2S7/Au architecture. It was also established that if the thickness of the absorber and the bulk defect concentration were optimized the ITO/WS2/Sr3Ti2S7/Au and ITO/C60/Sr3Ti2S7/Au solar cells could achieve conversion efficiencies close to 11.0 % and 10.0 % respectively.