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Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms
Abstract
Tuning and optimizing luminescent properties of oxonitridosilicates phosphors are important for white light-emitting diode (WLED) applications. To improve the color rendering index, correlated color temperature and thermal stability of layer-structured M Si 2 O 2 N 2:Eu (M = Sr, Ba) phosphors, cation substitutions have been used to adjust their luminescent properties. However, the underlying mechanisms are still unclear. In this research, a series of (Sr 1– x Ba x )Si 2 O 2 N 2:Eu (0 ≤ x ≤ 1) compounds were prepared by solid-state reaction, after which systematic emission variations were investigated. The crystal structures of (Sr 1– x Ba x )Si 2 O 2 N 2:Eu (0 ≤ x ≤ 1) are nominally divided into three sections, namely, Phase 1 (0 ≤ x ≤ 0.65), Phase 2 (0.65 < x < 0.80), and Phase 3 (0.80 ≤ x ≤ 1) based on the X-ray diffraction measurements. These experimental results are further confirmed by optimizing the crystal structure data with first-principle calculations. Continuous luminescence adjustments from green to yellow are observed in Phase 1 with gradual replacement of Sr 2+ with Ba 2+, and the abnormal redshift is clarified through extended X-ray absorption fine structure analysis. Sr(Eu)–O/N bond length shrinkage in local structure causes the redshift emission, and the corresponding luminescence mechanism is proposed. Controllable luminescence in Phase 2 (from blue to white) and Phase 3 (from cyan to yellowish green) are observed. Based on the high-resolution transmission electron microscopy and selected area electron diffraction analysis, the two kinds of luminescence tuning are attributed to phase segregation. This study serves as a guide in developing oxonitride luminescent materials with controllable optical properties based on variations in local coordination environments through cation substitutions.
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Citations
Cites
Shannon, R. D. (1976) · Acta Crystallographica Section A · doi:10.1107/s0567739476001551 · Cited by 66,145
Cited by
Recent progress in luminescence tuning of Ce3+and Eu2+-activated phosphors for pc-WLEDs
Li, G., Tian, Y., Zhao, Y., & Lin, J. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00446a · Cited by 965
Self-citationZhuang, Y., Wang, L., Lv, Y., Zhou, T., & Xie, R. (2018) · Advanced Functional Materials · doi:10.1002/adfm.201705769 · Cited by 396
Metadata
- Authors
- Li, G., Lin, C. C., Chen, W.-T., Molokeev, M. S., Atuchin, V. V., Chiang, C.-Y., Zhou, W., Wang, C.-W., Li, W.-H., Sheu, H.-S., Chan, T.-S., Ma, C., & Liu, R.-S.
- Venue
- Chemistry of Materials
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-04-23
- Volume
- 26
- Issue
- 9
- Pages
- 2991-3001
- ISSN
- 0897-4756 (ISSN-L)
- 1520-5002
- OpenAlex
- W2130221674
- Cited by
- 276
- References
- 1
- FWCI
- 11.76
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms. https://app.cochat.ai/papers/10.1021/cm500844v
- The paper
- Li, G., Lin, C. C., Chen, W.-T., Molokeev, M. S., Atuchin, V. V., Chiang, C.-Y., Zhou, W., Wang, C.-W., Li, W.-H., Sheu, H.-S., Chan, T.-S., Ma, C., & Liu, R.-S. (2014). Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms. Chemistry of Materials. https://doi.org/10.1021/cm500844v
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