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Design of MAPb(BrxI1-x)3-Based Solar Cells: Compositional Optimization for Thermally Stable and Defect-Tolerant
Syed Abdul Moiz1, Muhammad I Masud2, Muhammad Kashif3
1Device Simulation Laboratory, Department of Electrical Engineering, College of Engineering and Architecture, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
Nanomaterials (Basel, Switzerland)
|August 12, 2026
Summary
Mixed halide perovskites show improved thermal stability with higher bromine content, despite efficiency trade-offs. Understanding these asymmetric defect dynamics is key for designing durable perovskite solar cells.
Area of Science:
- Materials Science
- Solid-State Physics
- Renewable Energy
Background:
- Mixed halide perovskites offer tunable bandgaps for solar cell applications.
- Thermal degradation of defects limits the operational stability of perovskite solar cells across their stoichiometry range.
Purpose of the Study:
- Investigate the impact of bromine composition on trap density and temperature effects in mixed halide perovskites.
- Establish predictive design principles for enhancing the thermal stability of perovskite solar cells.
Main Methods:
- Utilized SCAPS-1D simulations for MAPb(BrxI1-x)3 solar cells.
- Modeled continuous bowing-corrected functions for Br fraction (0-1), temperature (300-350 K), and trap density (10^11-10^20 cm^-3).
Main Results:
- Observed asymmetric thermal defect trade-offs influencing device performance.
- Br-rich compositions exhibit higher sensitivity to trap-assisted Shockley-Read-Hall (SRH) recombination at high trap densities (Nt > 10^18 cm^-3).
- Br-rich systems show a lower thermal degradation coefficient (dVoc/dT), indicating enhanced thermal tolerance.
Conclusions:
- Asymmetric thermal defect behavior provides design insights beyond simple efficiency trends.
- Br-rich mixed halide perovskites demonstrate superior operational stability.
- Quantitative guidelines assist in developing more stable mixed halide perovskite solar devices.
