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Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
Masoud Karimipour1, Nil Monrós Oliveras1, Zhenchuan Tian1
1Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and BIST, Campus UAB, Bellaterra, Barcelona, Catalonia, 08193, Spain.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|August 14, 2025
Summary
Functionalized 2D titanium carbide (Ti3C2) MXenes improve perovskite solar cell (PSC) efficiency and stability by optimizing band alignment and reducing defects. This MXene:Me-4PACz material enhances device performance and longevity.
Area of Science:
- Materials Science
- Renewable Energy
- Nanotechnology
Background:
- 2D Ti3C2 MXenes are effective for interfacial passivation in perovskite solar cells (PSCs).
- Passivation optimizes band alignment and reduces non-radiative recombination, enhancing device performance.
- Defect passivation is crucial for improving the efficiency and stability of PSCs.
Purpose of the Study:
- To synthesize and functionalize Ti3C2 MXene with [4-(3,6-Dimethyl-9H-carbazol-9-yl)butyl]phosphonic acid (MXene:Me-4PACz).
- To investigate the application of MXene:Me-4PACz at the perovskite/Spiro-OMeTAD interface in PSCs.
- To evaluate the impact of MXene:Me-4PACz on PSC efficiency, stability, and underlying mechanisms.
Main Methods:
- Synthesis and characterization of functionalized Ti3C2 MXene (MXene:Me-4PACz) using XRD and HRTEM-EELS.
- Fabrication of normal configuration PSCs with MXene:Me-4PACz interfacial layer.
- Performance testing (PCE) and stability assessment (ISOS-L-1, ISOS-O-2) of fabricated PSCs.
- Characterization of interfacial properties, including band alignment, charge extraction, hydrophobicity, and trap states.
Main Results:
- Synthesized MXene:Me-4PACz as nanoneedles, confirmed by XRD and HRTEM-EELS.
- PSCs with MXene:Me-4PACz achieved a PCE of ~21.5%, compared to ~20.1% for control devices.
- Enhanced operational stability: T88 at 1000 h (ISOS-L-1) and T50 at ~1000 h (ISOS-O-2).
- Control devices degraded significantly (55% after 1000 h ISOS-L, ~100% after 900 h ISOS-O-2).
Conclusions:
- MXene:Me-4PACz interfacial passivation improves energy band alignment and charge extraction.
- Enhanced perovskite surface hydrophobicity and reduced trap states contribute to improved device performance.
- Functionalized MXenes offer a promising strategy for developing highly efficient and stable perovskite solar cells.
