Computational Study on the Effect of Anode Layer Variation on the Performance of FASnI3-based Perovskite Solar Cells
Keywords:
Lead-free perovskite solar cell, Metal back contact, SCAPS-1D simulation, DFT calculationsAbstract
The development of lead-free perovskite solar cells (PSC) is gaining
traction due to concerns over the toxicity of lead-based materials. This study
explores various anode materials as back contact of tin-based perovskites with a
complete configuration consisting of FTO/TiO2/FASnI3/PTAA/Anode to optimize
the performance of FASnI3-based PSC. Using SCAPS-1D and density functional
theory (DFT) simulations, we analyze the impact of varying work functions of
various metals, including several alloy metals, on the device's performance and
stability. The simulation results indicate that variations in the work function of
metal contacts ranging from 4.3 eV to 5.0 eV affect the Power Conversion
Efficiency (PCE) of the PSC. Utilizing DFT calculations enables the confirmation
of the accuracy of the work function parameter by computing the difference
between vacuum potential and Fermi energy, further validating the device’s
capability with PCE up to 17%. These results highlight the significance of
selecting suitable anode materials to improve both the efficiency and durability of
tin-based PSCs based on their layer configuration. Key properties of the anode
material, such as work function and electrical conductivity, can optimize the
charge extraction, enhancing overall device performance
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