Density functional theory facilitates heterovalent substitution: The multi-functional application of near-infrared emitting phosphors with excellent thermal stability

Because of the distinct electronic structure and modifiable luminescence properties, the trivalent chromium ion (Cr3 +) has emerged as the main subject of near-infrared phosphor research. In this study, the Sr8ZnSc(PO4)7:Cr3+ near-infrared emitting phosphor was successfully synthesized via the high-...

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Published inJournal of alloys and compounds Vol. 1040; p. 183661
Main Authors Zheng, Baofeng, Yan, Jiahao, Zhou, Xinyu, Wang, Zhe, Lu, Yanan, Lv, Meiheng, Li, Wenze
Format Journal Article
LanguageEnglish
Published Elsevier B.V 23.09.2025
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ISSN0925-8388
DOI10.1016/j.jallcom.2025.183661

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Summary:Because of the distinct electronic structure and modifiable luminescence properties, the trivalent chromium ion (Cr3 +) has emerged as the main subject of near-infrared phosphor research. In this study, the Sr8ZnSc(PO4)7:Cr3+ near-infrared emitting phosphor was successfully synthesized via the high-temperature solid-phase method. Its crystal structure, luminescence properties, thermal stability, low-temperature sensing and potential application in light-emitting diodes (LEDs) were investigated in detail. Density functional theory proves that Cr has a heterovalent substitution for Sr. The abundant Sr sites enable the spectrum to have a wide emission range. Its central peak position is at 914 nm, and the coverage range is 700 – 1400 nm. At 373 and 423 K, the luminescence intensity retains 90.61 % and 76.88 % of ambient temperature, respectively, demonstrating its ideal thermal stability. Additionally, a dual-mode measurement method was adopted to study its temperature sensitivity at low temperatures. The results show that Sr8ZnSc(PO4)7:Cr3+ has excellent sensitivity at low temperature. Lastly, a near-infrared pc-LED device was successfully fabricated and its related applications in the fields of night vision and perspective were demonstrated. This work provides new ideas for the preparation of near-infrared phosphors by the heterometric substitution strategy. And the prepared phosphors have potential applications in low temperature sensing and pc-LED. [Display omitted] •Density functional theory proves that Cr has a heterovalent substitution for Sr.•The heterovalent substitution enhances the anti-thermal quenching of the phosphor.•The prepared phosphors have potential application values in the fields of low-temperature sensing, near-infrared pc-LED devices, night vision and perspectivey.
ISSN:0925-8388
DOI:10.1016/j.jallcom.2025.183661