Theoretical Investigation of Organic Ligands on the Surface Structure of InP Quantum Dots: Implications for Display Materials with Enhanced Surface Stability

Cho, Eunseog; Lee, Junho; Kim, Tae-Gon; Son, Won-Joon; Jang, Inkook; Kim, Dae Sin

doi:10.1021/acsanm.3c03356

ACS Appl. Nano Mater.

2023

DOI: 10.1021/acsanm.3c03356

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Theoretical Investigation of Organic Ligands on the Surface Structure of InP Quantum Dots: Implications for Display Materials with Enhanced Surface Stability

Eunseog Cho,

Junho Lee,

Tae-Gon Kim

et al.

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Cited by 3 publications

References 38 publications

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Highly Luminescent Shell‐Less Indium Phosphide Quantum Dots Enabled by Atomistically Tailored Surface States

Gwak,

Shin,

Yoo

et al. 2024

Advanced Materials

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Contrary to the prevailing notion that shell structures arise from the intricate chemistry and surface defects of InP quantum dots (QDs), an innovative strategy that remarkably enhances the luminescence efficiency of core‐only InP QDs to over 90% is introduced. This paradigm shift is achieved through the concurrent utilization of group 2 and 3 metal‐derived ligands, providing an effective remedy for surface defects and facilitating charge recombination. Specifically, a combination of Zn carboxylate and Ga chloride is employed to address the undercoordination issues associated with In and P atoms, leading to the alleviation of in‐gap trap states. The intricate interplay and proportional ratio between Ga‐ and Zn‐containing ligands play pivotal roles in attaining record‐high luminescence efficiency in core‐only InP QDs, as successfully demonstrated across various sizes and color emissions. Moreover, the fabrication of electroluminescent devices relying solely on InP core emission opens a new direction in optoelectronics, demonstrating the potential of the approach not only in optoelectronic applications but also in catalysis or energy conversion by charge transfer.

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Highly Luminescent Shell‐Less Indium Phosphide Quantum Dots Enabled by Atomistically Tailored Surface States

Gwak,

Shin,

Yoo

et al. 2024

Advanced Materials

View full text Add to dashboard Cite

show abstract

Exploring the optical characteristics influenced by size and surface defects in AgInS2 quantum dots: A theoretical study with a simple ligand model

Cho,

Jo,

Kim

et al. 2025

Applied Surface Science

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Observation of negative surface and interface energies of quantum dots

Calvin,

Brewer,

Crook

et al. 2024

Proc. Natl. Acad. Sci. U.S.A.

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Surface energy is a fundamental property of materials and is particularly important in describing nanomaterials where atoms or molecules at the surface constitute a large fraction of the material. Traditionally, surface energy is considered to be a positive quantity, where atoms or molecules at the surface are less thermodynamically stable than their counterparts in the interior of the material because they have fewer bonds or interactions at the surface. Using calorimetric methods, we show that the surface energy is negative in some prototypical colloidal semiconductor nanocrystals, or quantum dots with organic ligand coatings. This implies that the surface atoms are more thermodynamically stable than those on the interior due to the strong bonds between these atoms and surfactant molecules, or ligands, that coat their surface. In addition, we extend this work to core/shell indium phosphide/zinc sulfide nanocrystals and show that the interfacial energy between these materials is highly thermodynamically favorable in spite of their large lattice mismatch. This work challenges many of the assumptions that have guided thinking about colloidal nanomaterial thermodynamics, investigates the fundamental stability of many technologically relevant colloidal nanomaterials, and paves the way for future experimental and theoretical work on nanocrystal thermodynamics.

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Theoretical Investigation of Organic Ligands on the Surface Structure of InP Quantum Dots: Implications for Display Materials with Enhanced Surface Stability

Cited by 3 publications

References 38 publications

Highly Luminescent Shell‐Less Indium Phosphide Quantum Dots Enabled by Atomistically Tailored Surface States

Highly Luminescent Shell‐Less Indium Phosphide Quantum Dots Enabled by Atomistically Tailored Surface States

Exploring the optical characteristics influenced by size and surface defects in AgInS2 quantum dots: A theoretical study with a simple ligand model

Observation of negative surface and interface energies of quantum dots

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