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Phthalocyanine-Based Multifunctional Additives for Efficient Defect Passivation in Perovskite Solar Cells
Perihan Kübra Demircioglu1, Faranak Sadegh2, Şifa Doğan1
1Department of Natural and Mathematical Science, Tarsus University, Mersin, 33400 Tarsus University, 33480, Mersin, Turkey.
ACS Applied Materials & Interfaces
|September 16, 2025
Summary
Functionalized phthalocyanine (Pc) additives enhance perovskite solar cell (PSC) stability by passivating ionic defects. This strategy significantly boosts power conversion efficiency (PCE) and device longevity.
Area of Science:
- Materials Science
- Renewable Energy
- Photovoltaics
Background:
- Perovskite solar cells (PSCs) suffer from long-term operational instability due to intrinsic ionic defects.
- Defects at grain boundaries and interfaces promote nonradiative recombination and performance degradation in PSCs.
Purpose of the Study:
- To introduce a novel defect passivation strategy for enhancing PSC stability and performance.
- To investigate the efficacy of functionalized phthalocyanine (Pc) derivatives as multifunctional additives.
Main Methods:
- Synthesis and application of functionalized phthalocyanine (Pc) derivatives with imidazolium (IZ) cations and various counter-anions.
- Utilized Density Functional Theory (DFT) calculations to elucidate the binding mechanism and electronic interactions.
- Performed photophysical characterization to assess charge carrier dynamics and optoelectronic properties.
Main Results:
- Pc additives effectively passivated under-coordinated Pb2+ sites and halide vacancies via Lewis acid-base interactions.
- Passivation significantly reduced nonradiative recombination and extended charge carrier lifetimes.
- BF4−-modified Pc additive resulted in a power conversion efficiency (PCE) over 22% and superior device stability.
Conclusions:
- Tailored Pc-based additives offer an effective strategy for developing highly efficient and stable perovskite solar cells.
- The dual-site binding mechanism of Pc derivatives addresses key degradation pathways in PSCs.
- Demonstrated significant improvements in both photovoltaic performance and operational durability of PSCs.
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