Evaluating Pb-based and Pb-free Halide Perovskites for Solar-Cell Applications: A Simulation Study

Area of Science:

• Materials Science
• Solid-State Physics
• Optoelectronics

Background:

• Metal halide perovskites, particularly lead-based (Pb) and lead-free (Pb-free) variants, are crucial optoelectronic materials.
• The toxicity of lead (Pb) hinders commercial applications, necessitating the exploration of Pb-free alternatives like tin (Sn).
• Cesium (Cs) incorporation enhances optical and thermal stability in perovskite absorber layers, improving photoconversion efficiency.

Purpose of the Study:

• To investigate the correlation between experimental and theoretical findings for Pb-based and Pb-free perovskites.
• To evaluate the performance of cesium tin iodide (CsSnI3) and cesium lead iodide (CsPbI3) perovskite layers in solar cells.
• To provide a comparative analysis of the hot-injection synthesis method for these perovskite materials.

Main Methods:

• Synthesis of Pb-based (CsPbI3) and Pb-free (CsSnI3) perovskites using the hot-injection method at varying temperatures.
• Experimental characterization of synthesized perovskite materials.
• Theoretical simulation using SCAPS-1D software to analyze the impact of layer parameters on solar cell performance.

Main Results:

• Demonstrated a correlation between experimental synthesis conditions and material properties.
• Simulations provided insights into the performance limitations and potential improvements for CsSnI3 and CsPbI3 based solar cells.
• Highlighted the significance of the hot-injection method for producing stable perovskite structures.

Conclusions:

• The study provides a valuable experimental and theoretical comparison of CsPbI3 and CsSnI3 perovskites synthesized via the hot-injection method.
• Findings support the potential of Pb-free perovskites as viable alternatives for optoelectronic devices.
• This research contributes to the development of more stable and efficient sustainable optoelectronic technologies.