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Toward a Robust ZnO Interface via Fullerene-Based SAMs: Defect Passivation and Compatibility Tuning for

Tian Xia1, Qian Li1, Kai-Kai Liu1

  • 1Department of Materials Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong, P. R. China.

Small (Weinheim an Der Bergstrasse, Germany)
|January 30, 2026
PubMed
Summary
This summary is machine-generated.

We developed new fullerene-based self-assembled monolayers (SAMs) to improve organic solar cell (OSC) performance. The 4EG-PA SAM enhances charge extraction and stability, achieving 19.46% efficiency and retaining 84% after 2000 hours.

Keywords:
charge‐transfer stateinverted organic solar cellsn‐type self‐assembled monolayersstabilityzinc oxide

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Area of Science:

  • Materials Science
  • Organic Electronics
  • Photovoltaics

Background:

  • Inverted organic solar cells (OSCs) face challenges with charge recombination and interfacial instability at the electron transport layer (ETL).
  • Zinc oxide (ZnO) is a common ETL material, but its polar surface requires effective passivation for optimal performance.

Purpose of the Study:

  • To design and evaluate fullerene-based self-assembled monolayers (SAMs) as interfacial modifiers for ZnO ETLs in OSCs.
  • To investigate the structure-property relationships of SAMs for enhanced device performance and operational stability.

Main Methods:

  • Synthesis and characterization of two SAMs: C2-PA (alkyl linker) and 4EG-PA (tetra(ethylene glycol) linker).
  • Fabrication and testing of inverted OSCs utilizing ZnO ETLs modified with C2-PA and 4EG-PA.
  • Employing transient absorption spectroscopy (TAS) to study interfacial charge dynamics.

Main Results:

  • 4EG-PA formed a denser, more uniform SAM morphology on ZnO compared to C2-PA, leading to superior surface passivation.
  • OSCs with 4EG-PA achieved a champion power conversion efficiency (PCE) of 19.46%.
  • TAS revealed that 4EG-PA promoted efficient electron extraction and hole transfer, suppressing recombination and enhancing device stability (84% retention after 2000 h).

Conclusions:

  • The molecular structure of SAMs critically influences interfacial properties and device longevity in OSCs.
  • 4EG-PA SAMs offer a strategic approach to optimize charge extraction and interfacial morphology, leading to high-performance and stable inverted OSCs.
  • This study provides a blueprint for designing advanced interfacial materials for next-generation organic electronics.