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Near-Unity PLQY and Strong Broadband Emission From 0D (BYA)4InCl7 Enabling High-CRI Solid-State Lighting.

Shengze Ban1, Yueqi Shen1, Jianyi Huang1

  • 1State Key Laboratory of Bioinspired Interfacial Materials Science, Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, Suzhou, P. R. China.

Small (Weinheim an Der Bergstrasse, Germany)
|March 30, 2026
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Summary

This study introduces lead-free 0D perovskite single crystals doped with antimony (Sb3+) for efficient light emission. These novel materials achieve high photoluminescence quantum yield (PLQY) and broadband emission, suitable for optoelectronics.

Keywords:
0D metal halidesSb3+ dopinghigh‐CRIself‐trapped excitonswhite light‐emitting diodes

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Optoelectronics

Background:

  • 0D metal halides offer strong quantum confinement and self-trapped exciton (STE) emission for light-emitting applications.
  • Achieving broadband tunability and high photoluminescence quantum yield (PLQY) in lead-free systems is a significant challenge.
  • Antimony (Sb3+) doping is explored as a strategy to enhance emission properties in 0D perovskites.

Purpose of the Study:

  • To synthesize and characterize Sb3+-doped 0D perovskite single crystals, specifically (BYA)4InCl7: xSb3+.
  • To investigate the impact of Sb3+ incorporation on the crystal structure, optical properties, and emission mechanisms.
  • To evaluate the potential of these materials for applications in white light-emitting diodes (WLEDs).

Main Methods:

  • Synthesis of (BYA)4InCl7: xSb3+ single crystals.
  • Comprehensive characterization including structural analysis (X-ray diffraction), photoluminescence (PL) spectroscopy, and temperature-dependent PL measurements.
  • Density functional theory (DFT) calculations to understand emission mechanisms.
  • Fabrication and testing of a prototype WLED device.

Main Results:

  • Successful substitution of Sb3+ into the [InCl6]3- octahedra within the 0D framework.
  • Sb3+ incorporation led to bandgap narrowing (4.08 eV to 2.85 eV) and enhanced broadband STE emission.
  • Optimal doping (x = 4.87%) yielded an ultrahigh PLQY of 97.53%.
  • Exceptional emission efficiency attributed to strong electron-phonon coupling and low thermal quenching activation energy.
  • Prototype WLED demonstrated excellent color rendition (CRI = 89.3) and operational stability.

Conclusions:

  • Sb3+ doping effectively enhances the light-emitting properties of 0D indium halide perovskites.
  • The observed high PLQY and broadband emission are linked to specific structural and electronic properties influenced by Sb3+.
  • These Sb3+-doped 0D perovskites show significant promise as high-performance, lead-free emitters for advanced optoelectronic devices, including WLEDs.