黄色荧光粉La3Si6N11∶Ce3+的结构、性能研究及第一性原理计算

林莹1, 刘梦丽2, 陈文杰3, 高腾2, 胡晓琳2, 庄乃锋2*

化工新型材料 ›› 2023, Vol. 51 ›› Issue (2) : 164 -168.

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化工新型材料 ›› 2023, Vol. 51 ›› Issue (2) : 164-168. DOI: 10.19817/j.cnki.issn1006-3536.2023.02.033
科学研究

黄色荧光粉La3Si6N11∶Ce3+的结构、性能研究及第一性原理计算

    林莹1, 刘梦丽2, 陈文杰3, 高腾2, 胡晓琳2, 庄乃锋2*
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Structure,properties and first-principles calculation of La3Si6N11∶Ce3+ phosphor

  • Lin Ying1, Liu Mengli2, Chen Wenjie3, Gao Teng2, Hu Xiaolin2, Zhuang Naifeng2
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摘要

运用高温固相法合成掺铈的氮化物荧光粉La3Si6N11∶Ce3+。采用X射线衍射仪、能谱仪、荧光光谱仪对合成样品的结构、发光性能等进行研究,利用Rietveld方法对其结构精修,并计算了La3Si6N11∶Ce3+的色坐标、色纯度和色温。结果表明:该荧光粉的色坐标为(0.4165,0.558),落在黄绿光区域,计算得到La2.82Si6N11∶Ce3+0.18的色纯度约为92.86%,具有较高的纯度,相关色温为4137K,属于中间色温。通过计算可得掺杂后La3Si6N11∶Ce3+的带隙值为2.92eV,相对掺杂前略微减少,且La3Si6N11∶Ce3+体系属于直接带隙结构,从而有利于提高其发光性能。

Abstract

Cerium-doped nitride phosphor La3Si6N11∶Ce3+ was successfully synthesized by high-temperature solid-state method.The structure and luminescence properties of the synthesized sample were studied by X-ray powder diffraction,energy dispersive spectrometer and fluorescence spectrometer.Its structure was refined by Rietveld method.In addition,the color coordinates,the color purity and the color temperature of La3Si6N11∶Ce3+ were calculated.The color coordinate was 0.4165,0.558,which belonged to yellow-green light-emitting area.La2.82Si6N11∶Ce3+0.18 had a higher color purity of about 92.86% and the intermediate correlated color temperature was 4137K.Through calculation,the band gap value of La3Si6N11∶Ce3+ after doping was 2.92eV,which was slightly reduced compared with that before doping,and La3Si6N11∶Ce3+ system belonged to direct band gap structure,thus contributing to the improvement of its luminescence properties.

关键词

La3Si6N11∶Ce3+ / XRD-Rietveld结构精修 / 发光性能 / 第一性原理计算

Key words

La3Si6N11∶Ce3+ / XRD-Rietveld refinement / luminescence properties / first-principles calculations

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黄色荧光粉La3Si6N11∶Ce3+的结构、性能研究及第一性原理计算[J]. 化工新型材料, 2023, 51(2): 164-168 DOI:10.19817/j.cnki.issn1006-3536.2023.02.033

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基金资助

国家自然科学基金面上项目(61875039);福建省自然科学基金面上项目(2020J01776);福建省中青年教师教育科研项目(JAT201064)

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