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Dual-Functional Top-Interface Passivation Using a Thiohydantoin Derivative for High-Performance Perovskite Solar

Qi Hu1,2, Xiao Wu3, Leying Zha2

  • 1School of Science, Yanshan University, Qinhuangdao, China.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|December 13, 2025
PubMed
Summary
This summary is machine-generated.

Researchers developed a new passivation strategy using 3-Phenyl-2-Thiohydantoin-5-Propionic Acid (PTGA) to improve perovskite solar cells (PSCs). This method enhances efficiency and stability by reducing recombination losses at the perovskite/electron transport layer interface.

Keywords:
defect passivationinterface engineeringnonradiative recombinationperovskite solar cellsstability

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Area of Science:

  • Materials Science
  • Renewable Energy
  • Photovoltaics

Background:

  • Perovskite solar cells (PSCs) face efficiency and stability limitations due to nonradiative recombination at interfaces.
  • The perovskite (PVK)/electron transport layer (ETL) interface is a critical area for performance degradation.

Purpose of the Study:

  • To introduce a novel passivation strategy for the PVK/ETL interface in inverted PSCs.
  • To investigate the mechanism of molecular passivation for enhancing PSC performance and stability.

Main Methods:

  • Employing 3-Phenyl-2-Thiohydantoin-5-Propionic Acid (PTGA) as a multifunctional interlayer at the PVK/ETL interface.
  • Utilizing PTGA's amine and carboxylic acid groups to repair anionic defects and passivate undercoordinated Pb2+ cations.
  • Analyzing the impact of PTGA on crystallinity, energy band alignment, electron extraction, and recombination.

Main Results:

  • PTGA effectively reduces interfacial defect concentration through cooperative multisite passivation.
  • The passivation strategy improves active layer crystallinity and optimizes energy band alignment.
  • Treated inverted PSCs achieved a champion efficiency of 25.13% with enhanced long-term storage and illumination stability.

Conclusions:

  • Multisite molecular passivation with PTGA offers a simple yet effective strategy to boost PSC performance.
  • The study provides a profound mechanistic understanding of interfacial defect passivation in perovskite photovoltaics.
  • This approach holds significant potential for advancing the commercial viability of perovskite solar cells.