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In situ high pressure neutron diffraction and Raman spectroscopy of 20BaO–80TeO2 glass

机译:原位高压中子衍射和20bao-80teo2玻璃的拉曼光谱

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The short-range structure of 20BaO–80TeO _(2) glass was studied in situ by high pressure neutron diffraction and high pressure Raman spectroscopy. Neutron diffraction measurements were performed at the PEARL instrument of the ISIS spallation neutron source up to a maximum pressure of 9.0 ± 0.5 GPa. The diffraction data was analysed via reverse Monte Carlo simulations and the changes in the glass short-range structural properties, Ba–O, Te–O and O–O bond lengths and speciation were studied as a function of pressure. Te–O co-ordination increases from 3.51 ± 0.05 to 3.73 ± 0.05, Ba–O coordination from 6.24 ± 0.19 to 6.99 ± 0.34 and O–O coordination from 6.00 ± 0.05 to 6.69 ± 0.06 with an increase in pressure from ambient to 9.0 GPa. In situ high pressure Raman studies found that the ratio of intensities of the two bands at 668 cm ~(?1) and 724 cm ~(?1) increases from 0.99 to 1.18 on applying pressure up to 19.28 ± 0.01 GPa, and that these changes are due to the conversion of TeO _(3) into TeO _(4) structural units in the tellurite network. It is found that pressure causes densification of the tellurite network by the enhancement of co-ordination of cations, and an increase in distribution of Te–O and Ba–O bond lengths. The original glass structure is restored upon the release of pressure.
机译:通过高压中子衍射和高压拉曼光谱研究20BaO-80Teo_(2)玻璃的短距离结构。中子衍射测量在ISIS初步中子源的珍珠仪中进行,最大压力为9.0±0.5GPa。通过反向蒙特卡罗模拟分析衍射数据,并根据压力的函数研究了玻璃短程结构性能,Ba-O,Te-O和O-O键长和物种的变化。 TE-O协调从3.51±0.05增加到3.73±0.05,从6.24±0.19至6.99±0.34和O-O协调从6.00±0.05到6.69±0.06,从环境温度增加到9.0 GPA。原位高压拉曼研究发现,在668cm〜(α1)和724cm〜(α1)的两个带的强度比率从0.99到1.18增加,施加压力高达19.28±0.01 GPa,这更改是由于TEO _(3)转换为特雷特网络中的TEO _(4)结构单元。结果发现,通过增强阳离子的协调,以及Te-O和Ba-O键长的分布的增加,压力会导致碲化岩网络的致密化。原始玻璃结构在压力释放时恢复。

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