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Overcoming the Luminescence Efficiency Limitations of InP Magic-Sized Clusters.

Changhyun Joo1, Seongbeom Yeon1, Jordi Llusar2

  • 1Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea.

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|December 16, 2025
PubMed
Summary
This summary is machine-generated.

Surface engineering of indium phosphide (InP) magic-sized clusters (MSCs) using in situ HF generation significantly boosts photoluminescence quantum yield (PLQY) to a record 18.1% by addressing surface trap states.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Photophysics

Background:

  • Magic-sized clusters (MSCs) are atomically precise nanomaterials ideal for studying surface photophysics.
  • Indium phosphide (InP) MSCs exhibit very low photoluminescence quantum yield (<1%) due to surface trap states, limiting their applications and fundamental understanding.

Purpose of the Study:

  • To develop a surface-engineering strategy to enhance the photoluminescence quantum yield (PLQY) of InP MSCs.
  • To elucidate the mechanisms behind the PLQY enhancement and altered photophysical properties.

Main Methods:

  • Controlled in situ hydrogen fluoride (HF) generation via Friedel-Crafts acylation chemistry.
  • Comprehensive surface analyses (e.g., ligand exchange, oxide removal).
  • Density functional theory (DFT) simulations to investigate electronic states and trap densities.

Main Results:

  • Achieved a record-high PLQY of 18.1% for InP MSCs.
  • Demonstrated that phosphonate ligand exchange and surface oxide removal are key to PLQY enhancement.
  • Observed red-shifted and broadened emission attributed to surface-dependent electronic states, not size heterogeneity.
  • DFT simulations confirmed reduced trap state density and identified isomeric surface configurations contributing to spectral broadening.

Conclusions:

  • Surface engineering via in situ HF generation effectively overcomes low PLQY in InP MSCs.
  • Ligand exchange and oxide removal suppress charge carrier trapping and exciton quenching.
  • Surface-dependent electronic states, influenced by isomeric configurations, govern the photophysical properties of InP MSCs.