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首页> 外文期刊>RSC Advances >Chemical bond parameters, bond energy and the local crystal sites of Eu3+ in Ca5(BO3)3F:1% Eu3+ phosphor
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Chemical bond parameters, bond energy and the local crystal sites of Eu3+ in Ca5(BO3)3F:1% Eu3+ phosphor

机译：Ca5（BO3）3F：1％Eu3 +荧光粉中Eu3 +的化学键参数，键能和局部晶体位点

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The local crystal sites occupied by Eu ~(3+) in Ca _(5) (BO _(3) ) _(3) F:1% Eu ~(3+) phosphor were investigated experimentally and theoretically. Ca _(5) (BO _(3) ) _(3) F:1% Eu ~(3+) was synthesized by high-temperature solid-state method in air. The crystal structure and optical properties of the phosphor were studied by X-ray powder diffraction and photoluminescence, respectively. Two different O ~(2?) → Eu ~(3+) CT broad bands with the peaks at 266 and 283 nm in Ca _(5) (BO _(3) ) _(3) F:1% Eu ~(3+) were detected, indicating the Eu ~(3+) sites occupied Ca2 and Ca1, respectively. The different sharp f–f emission spectra under the excitation of 283 and 266 nm proved that there are two different local lattice environments around Eu ~(3+) existing in Ca _(5) (BO _(3) ) _(3) F:1% Eu ~(3+) . Environmental factor h _(e) , the standard deviation of environmental factor (EFSD) and the bond energy were used to illustrate and explain the site occupancy mechanism of Eu ~(3+) into the host lattice. By comparing the intensity ratios of ~(5) D _(0) → ~(7) F _(2) transition to the ~(5) D _(0) → ~(7) F _(1) transition, I ( ~(5) D _(0) / ~(7) F _(2) )/ I ( ~(5) D _(0) / ~(7) F _(1) ) of Eu ~(3+) at Ca2 (7.381) was found to be 2.5 times stronger than that of Eu ~(3+) at Ca1 site (2.933). was calculated to analyze the I ( ~(5) D _(0) / ~(7) F _(2) )/ I ( ~(5) D _(0) / ~(7) F _(1) ) value. On the basis of the bond valence model, a bond-energy method was used to study the occupancy of the Eu ion, which indicated that the preferential sites of Eu ion occupancy in the Ca _(5) (BO _(3) ) _(3) F are the Ca2 and Ca1 sites. All three theoretical calculation results are consistent with each other.
机译：通过实验和理论研究了Ca_（5）（BO _（3））_（3）F：1％Eu〜（3+）荧光粉中Eu〜（3+）占据的局部晶体位置。通过高温固态法在空气中合成Ca _（5）（BO _（3））_（3）F：1％Eu〜（3+）。通过X射线粉末衍射和光致发光分别研究了磷光体的晶体结构和光学性质。 Ca _（5）（BO _（3））_（3）F中的两个不同的O〜（2？）→Eu〜（3+）CT宽带峰分别在266和283 nm处F：1％Eu〜（检测到3+），表明Eu〜（3+）位点分别占据Ca2和Ca1。在283和266 nm激发下不同的清晰f–f发射光谱证明，在Ca _（5）（BO _（3））_（3）附近存在Eu〜（3+）周围存在两种不同的局部晶格环境。 F：1％Eu〜（3+）。用环境因子h _（e），环境因子的标准偏差（EFSD）和键能来说明和解释Eu〜（3+）进入主晶格的位占有机制。通过比较〜（5）D _（0）→〜（7）F _（2）转换与〜（5）D _（0）→〜（7）F _（1）转换的强度比，I （〜（5）D _（0）/〜（7）F _（2））/ I（〜（5）D _（0）/〜（7）F _（1））Eu〜（3+ ）在Ca2（7.381）处被发现比在Ca1位置（2.933）的Eu〜（3+）强2.5倍。计算以分析I（〜（5）D _（0）/〜（7）F _（2））/ I（〜（5）D _（0）/〜（7）F _（1））值。在键价模型的基础上，采用键能方法研究了ion离子的占有率，表明indicated离子在Ca _（5）（BO _（3））中占有优先位。 （3）F是Ca2和Ca1位点。所有三个理论计算结果彼此一致。

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