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.

探索了通过微波水热法制备的一系列单组分ScF ₃：Dy ³⁺，Eu ³⁺，Ce ³⁺荧光粉用于发光二极管。通过X射线衍射（XRD），扫描电子显微镜（SEM）和光致发光（PL）光谱对制备的样品进行表征。为了使实验结果合理化，已经进行了基于密度泛函理论的第一性原理计算，以发现电子结构。RE ^3+的PL性能掺杂的磷光体在可见光区域显示出清晰的谱带。通过调整Ce / Dy / Eu的比例，根据色度坐标，可以在白色（0.34，0.26）区域从蓝色（0.24，0.23）到红色（0.51，0.30）改变制备的磷光体的颜色。结果表明，Dy / Eu / Ce掺杂的ScF ₃可能充当下转换磷光体，用于近紫外发光二极管，尤其是白光LED。而且，它还可以促进对基于ScF ₃的磷光体的结构与性能之间的关系的深刻理解。