Bright future by controlling /8 phase junction of formamidinium lead iodide doped by imidazolium for solar cells: Insight from experimental, DFT calculations and SCAPS simulation
Surfaces and Interfaces(2023)
Abstract
In this study, we investigated the potential of Formamidinium lead iodide (FAPbI3) thin films as an absorber layer in perovskite-based solar cells, due to their good optoelectronic properties. Specifically, we investigated the effects of doping FAPbI3 with imidazolium (IM) at various percentages (ranging from 0% to 8%) on the stability and phase of the material at the a/8 phase junction. To do this, we used a range of analytical techniques, including x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), photoluminescence spectroscopy (PL), and UV-visible spectroscopy. Our findings showed that 6% IM-doped FAPbI3 led to homogeneous perovskite films with a stable a-phase perovskite, large grain size, and no holes. We confirmed these results via Density Functional Theory (DFT) studies. Additionally, we analyzed the impact of 6% IM-doped FAPbI3 in the context of solar cell applications using SCAPS simulations. We introduced a stacked layer-based perovskite structure (FTO/TiO2/FAPbI3/MAPbI3/Spiro -MeoTAD/Au) and found that the device had a high power conversion efficiency (PCE) of 26.10%, with a fill factor (FF) of 88%, open-circuit voltage (VOC) of 1.18 V, and short-circuit current density (JSC) of 25.18 mA/cm2.
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Key words
Perovskite,FaPbI3,Imidazolium,Morphology,& alpha,phase junction,Stability
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