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Redox-Improved Self-Assembled Monolayers for Inverted Perovskite Solar Cells
Meng Yuan1,2, Yiyang Wang1,2, Zhe Liu1,2
1Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.
Nature Communications
|December 12, 2025
Summary
A novel self-assembled monolayer (SAM) molecule improves hole transport layers (HTLs) in perovskite solar cells (pero-SCs). This advancement enhances device efficiency and stability, paving the way for more effective solar energy conversion.
Area of Science:
- Materials Science
- Renewable Energy
- Nanotechnology
Background:
- Inverted perovskite solar cells (pero-SCs) show high power conversion efficiency (PCE) using nickel oxide (NiOx)/self-assembled monolayer (SAM) hole transport layers (HTLs).
- Surface valence state variations in NiOx complicate high-quality SAM HTL growth.
Purpose of the Study:
- To develop a new SAM molecule to address NiOx surface complexities and improve HTL performance.
- To enhance the uniformity and coverage of SAM layers on NiOx substrates.
Main Methods:
- Synthesis of a new SAM molecule, MeOF-4SHCz, targeting Ni3+-rich regions on NiOx.
- Utilizing a redox reaction at the interface to form S-O-Ni bonds.
- Combining MeOF-4SHCz with MeOF-4PACz to create a mixed SAM HTL.
Main Results:
- The new SAM molecule facilitates the formation of a uniform and well-covered HTL on NiOx.
- Optimized inverted pero-SCs with the redox-improved (ROI)-SAM HTL achieved a PCE of 26.5% (certified 26.28%).
- The optimized devices demonstrated enhanced stability, with T90 exceeding 1000 hours.
Conclusions:
- The novel SAM molecule and its application in a mixed SAM HTL effectively overcome NiOx surface challenges.
- This approach significantly boosts the PCE and operational stability of inverted pero-SCs.
- The findings offer a promising strategy for advancing perovskite solar cell technology.

