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Elucidating the electronic structures and photoluminescence properties of single-phase ScF3:Dy3+, Eu3+, Ce3+ phosphors for LEDs

  • Original Paper: Sol-gel and hybrid materials for optical, photonic and optoelectronic applications
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Abstract

A series of single-component ScF3:Dy3+, Eu3+, Ce3+ phosphors prepared by means of microwave hydrothermal method were explored for light-emitting diodes. The as-prepared samples were characterized via X-ray diffraction (XRD), scanning electron microscope (SEM), and photoluminescence (PL) spectroscopy. In order to rationalize the experimental results, first-principle calculations based on density functional theory had been carried out to discover electronic structures. PL performance of the RE3+-doped phosphors exhibited well-defined bands in the visible region. By adjusting the ratios of Ce/Dy/Eu, the color of the as-prepared phosphors can vary from blue (0.24, 0.23) to red (0.51, 0.30) across the white (0.34, 0.26) region according to the chromaticity coordinates. The results suggested that the Dy/Eu/Ce-doped ScF3 might act as down-convert phosphors for near ultraviolet light-emitting diodes, especially for white LEDs. What is more, it can also promote a deep comperhension of the relationship between structure and properties in ScF3-based phosphors.

ScF3:RE3+ phosphors with alterable bandgaps can emit light from blue to orange–red across white under the excitation of near ultraviolet light. Introduction of rare earth ions induced the variation of energy band structures in ScF3-based phosphors because of the existence of f, p, and d orbits in RE3+, therein f and p orbits of RE3+ made the band structure downwards, the p hybridizing with Sc-3d promoted the band toward high-energy region.

Highlights

  • Single-phased cubic ScF3:Dy3+, Eu3+, Ce3+ phosphors were synthesized by a simple method.

  • The electronic structures of RE3+-doped ScF3 phosphors were analyzed by the DFT calculations systematically.

  • Emission intensity of as-synthesized phosphors was apparently enhanced via energy transfer processes.

  • Warm white light emission and tunable luminescence in RE3+-doped ScF3 phosphors were realized.

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Acknowledgements

This work was supported by Priority Academic Program Development (PAPD) of Jiangsu Higher Education Institutions.

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Authors and Affiliations

  1. State Key Laboratory of Materials-Orient Chemical Engineering, College of Materials Science and Engineering, Nanjing Tech University, Nanjing, 210009, PR China

    Rui Zhu, Zun Bi, Ke Jia, Yunfei Liu & Yinong Lyu

  2. Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing, PR China

    Rui Zhu, Zun Bi, Ke Jia, Yunfei Liu & Yinong Lyu

  3. Jiangsu Collaborative Innovation Center for Advanced Inorganic Function Composites, Nanjing, PR China

    Rui Zhu, Zun Bi, Ke Jia, Yunfei Liu & Yinong Lyu

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  1. Rui Zhu
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  2. Zun Bi
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  3. Ke Jia
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  4. Yunfei Liu
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  5. Yinong Lyu
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Correspondence to Yunfei Liu or Yinong Lyu.

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Zhu, R., Bi, Z., Jia, K. et al. Elucidating the electronic structures and photoluminescence properties of single-phase ScF3:Dy3+, Eu3+, Ce3+ phosphors for LEDs. J Sol-Gel Sci Technol 96, 753–762 (2020). https://doi.org/10.1007/s10971-020-05411-y

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  • DOI: https://doi.org/10.1007/s10971-020-05411-y

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