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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.)
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Summary
This summary is machine-generated.

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.

Keywords:
hole‐selective layerindoor photovoltaicsperovskiterhodaninesolar cell

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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.