Discovery of a new phosphor via aliovalent cation substitution: DFT predictions, phase transition and luminescence properties for lighting and anti-counterfeiting applications,Journal of Materials Chemistry C

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Discovery of a new phosphor via aliovalent cation substitution: DFT predictions, phase transition and luminescence properties for lighting and anti-counterfeiting applications
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2020-12-23 , DOI: 10.1039/d0tc05379a
Hongmin Liu _{1,

2,

3,

4} , Wenye Zhang _{1,

2,

3,

4} , Hongwei Liang _{1,

2,

3,

4} , Qingguang Zeng _{1,

2,

3,

4} , Jianxin Shi _{4,

5,

6,

7,

8} , Dawei Wen _{1,

2,

3,

4}

Affiliation

Over the last two decades, suitable compositions have been investigated to make new phosphors because they are key materials for use in solid-state lighting and security applications. Aliovalent cations have different radii, electronegativity and valence states, and can thus be used to remarkably modify crystal structures. Here, we report a new Sr₃₃Lu₆(PO₄)₂₈ phase produced from Sr₃(PO₄)₂ via the method of aliovalent cation substitution. Density functional theory calculations were used to predict the possibility of the formation of a new phase when substituting three Sr²⁺ for two Lu³⁺ ions in the material. The new phase, Sr₃₃Lu₆(PO₄)₂₈, was confirmed by X-ray diffraction, electron diffraction and photoluminescence spectroscopy. Different from the purple phosphor Sr₃(PO₄)₂:Eu²⁺, Sr₃₃Lu₆(PO₄)₂₈:Eu²⁺ exhibits broad green emission under near-UV excitation due to the multi-site occupancy of Eu²⁺. Combining near-UV chip, blue, red and Sr₃₃Lu₆(PO₄)₂₈:Eu²⁺ green phosphors, a white light-emitting diode with a high colour rendering index (∼92) was made, with potential lighting applications. Additionally, a transparent security ink fabricated using the Sr₃₃Lu₆(PO₄)₂₈:Eu²⁺ phosphor shows high concealment and recognition. This work is not confined to the report of a new Sr₃₃Lu₆(PO₄)₂₈:Eu²⁺ phosphor and its corresponding applications; it is expected that aliovalent cation substitution will be useful as a general method for the discovery of new materials.

中文翻译：

通过铝价阳离子取代发现一种新的荧光粉：用于照明和防伪应用的DFT预测，相变和发光特性

在过去的二十年中，已经研究了合适的组合物以制备新的磷光体，因为它们是用于固态照明和安全应用的关键材料。铝价阳离子具有不同的半径，电负性和价态，因此可用于显着修饰晶体结构。在此，我们报告了通过铝价阳离子取代方法从Sr ₃（PO ₄）₂产生的新Sr ₃₃ Lu ₆（PO ₄）₂₈相。用密度泛函理论计算来预测当用三个Sr ²⁺代替两个Lu ³⁺时形成新相的可能性材料中的离子。通过X射线衍射，电子衍射和光致发光光谱确认了新相Sr ₃₃ Lu ₆（PO ₄）₂₈。与紫色荧光粉Sr ₃（PO ₄）₂：Eu ^2+不同，Sr ₃₃ Lu ₆（PO ₄）₂₈：Eu ²⁺由于Eu ²⁺的多位占据，在近紫外光激发下表现出宽绿色发射。。结合了近紫外线芯片，蓝色，红色和Sr ₃₃ Lu ₆（PO ₄）₂₈：Eu^{制作了2种以上的}绿色磷光体，即具有高显色指数（〜92）的白色发光二极管，具有潜在的照明应用。另外，使用Sr₃₃ Lu₆（PO₄）₂₈：Eu²⁺荧光粉制造的透明安全油墨显示出较高的遮盖力和识别度。这项工作不限于新的Sr₃₃ Lu₆（PO₄）₂₈：Eu²⁺荧光粉及其相应应用的报告；可以预期的是，铝价阳离子取代将用作发现新材料的一般方法。

更新日期：2021-01-11

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