荧光粉
正交晶系
化学
结构精修
种姓
发光
带隙
结晶学
四方晶系
分析化学(期刊)
晶体结构
电子结构
光电子学
材料科学
色谱法
计算化学
作者
Bo Wang,Hang Lin,Jü Xu,Hui Chen,Zebin Lin,Feng Huang,Yuansheng Wang
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2015-11-11
卷期号:54 (23): 11299-11306
被引量:120
标识
DOI:10.1021/acs.inorgchem.5b01894
摘要
Currently, the development of efficient red-emitting persistent phosphor is still an ongoing challenge. Herein, a novel red-emitting LPL phosphor Ca3Ti2O7:Pr(3+) is successfully prepared by a high-temperature solid-state method. XRD Rietveld refinement analyses demonstrate the high phase purity of the sample which crystallizes in an orthorhombic Ccm21 space group with lattice parameters of a = 5.7702(5) Å, b = 19.4829(7) Å, and c = 5.1214(2) Å. Electronic structure of the host matrix is analyzed by the first-principle calculation using CASTEP code. The calculation results show that Ca3Ti2O7 has a direct band gap with CB and VB mainly composed of the Ti-3d and O-2p states, respectively. On the basis of the DR spectrum, the band gap is determined to be 3.6 eV. It is demonstrated that the 612 nm red-emitting persistent luminescence of Ca3Ti2O7:Pr(3+) can be either activated by Ti(4+)-O(2-) → Ti(3+)-O(-) host absorption and Pr(3+)-O-Ti(4+) → Pr(4+)-O-Ti(3+) IVCT in the UV region, or Pr(3+):(3)H4 → (3)PJ transition in the blue region. The red afterglow can last for ∼ 5 min observed by the naked eyes in the dark after ceasing the irradiation source. On the basis of the TL analyses, the trap is found exponentially distributed in the host with the depth of 0.69-0.92 eV. Finally, a possible LPL mechanism for Ca3Ti2O7:Pr(3+) is proposed.
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