CaAl 2 Si 2 O 8 掺杂Eu 3+ 的键能、优先占有和自发还原能力,Journal of Alloys and Compounds

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CaAl 2 Si 2 O 8 掺杂Eu 3+ 的键能、优先占有和自发还原能力
Journal of Alloys and Compounds ( IF 5.8 ) Pub Date : 2018-01-01 , DOI: 10.1016/j.jallcom.2017.10.054
Ling Li , Yu Pan , Wenjun Wang , Yuhan Zhu , Wenying Zhang , Haibing Xu , Liqun Zhou , Xiaoguang Liu

摘要使用键能法确定Eu3+或Eu2+的位点占有偏好，并进一步扩展到基于键价模型的Eu3+掺杂CaAl2Si2O8的自发还原研究。CaAl2Si2O8:Eu荧光粉是在空气条件下合成的。通过光致发光测量检测到 Eu3+ 和 Eu2+ 阳离子的共存。Eu3+或Eu2+在CaAl2Si2O8中的占有率可以通过比较其在Ca2+、Si4+和Al3+位点不同位置的键能偏差来确定。理论计算结果表明，Eu3+和Eu2+会优先占据较小的能量变化位点Ca4，可以分配到Eu4位点。更重要的结果是Eu4位点Eu2+的能量变化小于相同位点Eu3+的能量变化，这表明 Eu2+ 在 Eu4 位点比 Eu3+ 更稳定，因此可以在 CaAl2Si2O8 中发现自发的 Eu3+→Eu2+ 还原。同样的键能方法可以推广到解释Sm3+掺杂的CaAl2Si2O8在还原条件下不能被还原成Sm2+的原因。理论结果与实验现象一致。这应该有助于我们进一步了解无机材料中 Eu3+→Eu2+ 的自发还原。

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Bond energy, preferential occupancy and spontaneous reduction ability of Eu 3+ doped in CaAl 2 Si 2 O 8

Abstract A bond-energy method is used to determine the site occupancy preference of Eu3+ or Eu2+ and further firstly extended to study the spontaneous reduction of Eu3+ doped CaAl2Si2O8 based on the bond valence model. The phosphor CaAl2Si2O8: Eu was synthesized under air condition. The co-existence of Eu3+ and Eu2+ cations was detected through photoluminescence measurement. The occupancy of Eu3+ or Eu2+ in CaAl2Si2O8 can be determined by comparing the deviation of its bond energy in different locations at Ca2+, Si4+ and Al3+ sites. Theoretical calculation result indicates that the Eu3+ and Eu2+ would preferentially occupy the smaller energy variation sites Ca4, which can be assigned to Eu4 site. The more important result is that the energy variation of Eu2+ at Eu4 sites is smaller than that of Eu3+ at the same sites, which indicates that Eu2+ is more stable than Eu3+ at Eu4 sites, so the spontaneous Eu3+→Eu2+ reduction can be found in the CaAl2Si2O8. The same bond energy method can be extended to explain the reason why the Sm3+ doped CaAl2Si2O8 can't be reduced into Sm2+ under reduction condition. The theoretical result is consistent with the experimental phenomenon. This should help us to have a further understanding of spontaneous Eu3+→Eu2+ reduction in the inorganic material.

更新日期：2018-01-01

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