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Updated: Jan 22, 2026

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Enhancing Stability and Performance in Perovskite Solar Cells through Rationally Designed Phenanthro[9,10-d]imidazole

Rajarathinam Ramanujam1,2,3, Zhong-En Shi4, Chien-Yu Lung4

  • 1Institute of Chemistry, Academia Sinica, Nankang, Taipei 11529, Taiwan, Republic of China.

ACS Applied Materials & Interfaces
|January 20, 2026
PubMed
Summary

New interfacial layers (IFLs) based on phenanthro[9,10-d]imidazole derivatives, SR-1 and SR-2, enhance perovskite solar cell (PSC) performance and stability. Devices with SR-1 achieved 20.3% efficiency, demonstrating improved charge extraction and defect passivation.

Keywords:
dopant-freeinterfacial layer materialinverted devicenickel oxidepassivationperovskite solar cellphenanthro[9,10-d]imidazolethermal stability

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Area of Science:

  • Materials Science
  • Renewable Energy
  • Photovoltaics

Background:

  • Perovskite solar cells (PSCs) are promising for renewable energy due to their high power conversion efficiency (PCE).
  • Nickel oxide (NiOx) is a common hole transport material (HTM) in inverted PSCs, but interfacial issues with the perovskite layer (CH3NH3PbI3 or MAPbI3) limit device stability and PCE.
  • Ultrathin interfacial layers (IFLs) are employed to improve these interfacial interactions.

Purpose of the Study:

  • To design and synthesize novel dopant-free IFLs using phenanthro[9,10-d]imidazole derivatives (SR-1 and SR-2).
  • To investigate the impact of these IFLs on the NiOx/MAPbI3 interface in p-i-n PSCs.
  • To enhance the performance, stability, and charge dynamics of PSC devices.

Main Methods:

  • Synthesis of SR-1 and SR-2 phenanthro[9,10-d]imidazole derivatives.
  • Fabrication of inverted PSCs with the structure ITO/NiOx/IFL/MAPbI3/PCBM/BCP/Ag.
  • Characterization of device performance (PCE, hysteresis) and stability under thermal and humidity stress.

Main Results:

  • The SR-1 and SR-2 IFLs effectively modified NiOx energy levels, improved MAPbI3 morphology and crystallinity, and passivated interfacial defects.
  • Devices incorporating SR-1 and SR-2 exhibited enhanced charge extraction and reduced trap density at the NiOx/MAPbI3 interface.
  • The best performing device with SR-1 achieved a PCE of 20.3% with minimal hysteresis, outperforming the pristine device. Devices showed remarkable thermal and humidity stability.

Conclusions:

  • Phenanthro[9,10-d]imidazole derivatives (SR-1, SR-2) are effective IFLs for enhancing PSC performance and stability.
  • These IFLs address critical interfacial issues in NiOx/MAPbI3 contacts, leading to improved PCE and operational robustness.
  • SR-based IFLs show significant potential for developing efficient and stable perovskite solar cells.