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Rational Design of Rhodanine-Based Hole-Selective Layers for Optimizing Interfacial Passivation in High-Performance
Zhong-En Shi1, Bartosz Orwat2,3,4, Yu-Hung Wang1
1Department of Materials Engineering and Plasma and Thin Film Technologies Research Center, Ming Chi University of Technology, New Taipei, Taiwan.
Advanced Materials (Deerfield Beach, Fla.)
|April 30, 2026
Summary
Molecularly engineered hole-selective layers using triphenylamine-rhodanine derivatives significantly boost wide-bandgap perovskite solar cell efficiency for indoor applications. Optimized interfaces enhance charge extraction and device stability.
Area of Science:
- Materials Science
- Renewable Energy
- Nanotechnology
Background:
- Wide-bandgap perovskite solar cells (PSCs) show promise for indoor photovoltaics (IPVs).
- Efficiency is often limited by non-radiative recombination at the perovskite/transport layer interface.
- Effective hole-selective layers (HSLs) are crucial for mitigating these losses.
Purpose of the Study:
- To develop novel self-assembled monolayers (SAMs) as efficient HSLs for WBG PSCs.
- To investigate the impact of molecular structure on interfacial properties and device performance.
- To enhance indoor and outdoor photovoltaic efficiency and device stability.
Main Methods:
- Fabrication of NiOx/SAM double HSLs using triphenylamine (TPA) donor with rhodanine (RH) or rhodanine-3-acetic acid (RA) anchoring groups.
- Utilized DFT calculations, electrochemical analysis, XPS, UPS, PL, and SEM for interfacial characterization.
- Investigated perovskite growth and defect passivation influenced by molecular structure.
Main Results:
- The TPA-RA HSL enhanced NiOx surface oxidation and interfacial passivation.
- Optimized TPA-RA structure led to balanced energetics and improved charge extraction.
- Achieved an indoor power conversion efficiency (iPCE) of 41.81% under 1000 lux white LED and 18.68% PCE under AM 1.5G.
- Demonstrated excellent intrinsic stability, retaining 84% of indoor efficiency after 1600 hours.
Conclusions:
- Molecular engineering of SAMs is a viable strategy for high-efficiency indoor PSCs.
- The RA group and planar molecular structure promote superior interfacial properties and device performance.
- These findings pave the way for stable, high-performance perovskite solar cells in hybrid lighting environments.
