MoS2 as an alternate for Spiro-OMeTAD HTL in high-efficiency perovskite photovoltaics: simulation and experimental results analysis.

Continuous research efforts in the field of perovskite photovoltaics (PPV) have resulted in an impressive power conversion efficiency (PCE) of approximately 25%. However, the inherent instability of perovskite materials poses a significant challenge for real-time applications. Various strategies have been explored to enhance stability in photovoltaics, with one such approach involving the use of a stable and highly conductive hole transport layer (HTL) in PPV. Experimentally, spiro-OMeTAD has been widely employed as the most preferred Hole Transport Layer (HTL) in high-performance Perovskite Photovoltaics (PPV) devices. However, spiro-OMeTAD is highly susceptible to moisture, leading to device degradation. In this study, we investigate the potential of MoS₂ as an alternative HTL to replace spiro-OMeTAD in the device architecture (FTO/SnO₂/FAPbI₃/spiro-OMeTAD/Au or MoS₂/Au). To comprehensively assess MoS₂'s performance as an HTL, we conducted a detailed comparative analysis using the 1D-SCAPS simulation tool. The simulation results were compared with experimental data obtained from FTO/SnO₂/FAPbI₃/Spiro-OMeTAD/Au devices. Our findings revealed that MoS₂-based PPV devices exhibited superior photovoltaic performance, achieving an efficiency of 26.4% compared to 25.2% for spiro-OMeTAD-based devices. Several key device parameters were systematically examined, including series resistance, shunt resistance, anode work function, and temperature to assess their impact on device performance. Additionally, we identified optimal device conditions and superior electrode materials, with a focus on device behaviour at elevated operating temperatures. To provide comprehensive insights into the advantages and challenges associated with MoS₂ as an HTL in PPV architectures, we conducted an exhaustive comparison between 1D-SCAPS simulations of FTO/SnO₂/FAPbI₃/MoS₂/Au and experimental data from FTO/SnO₂/FAPbI₃/spiro-OMeTAD/Au devices. This study offers valuable guidance for ongoing efforts aimed at enhancing perovskite photovoltaic devices' stability and performance. [ABSTRACT FROM AUTHOR]