铋
化学
硼
碘
Atom(片上系统)
X射线光电子能谱
原子轨道
密度泛函理论
分析化学(期刊)
无机化学
物理化学
电子
计算化学
有机化学
核磁共振
物理
量子力学
计算机科学
嵌入式系统
作者
Wen Qian,Wencai Cheng,Yan Meng,Yi Liu,Zhentao Zhang,Yi Xie,Dadong Shao,Xirui Lu
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2022-06-20
卷期号:61 (26): 9860-9867
被引量:5
标识
DOI:10.1021/acs.inorgchem.1c03680
摘要
Stabilizing radioactive iodine in boron glass for disposal was the ultimate goal of this study. In this study, bismuth was used near a monument. Thermogravimetric analysis showed that bismuth could remarkably stabilize iodine atoms in boron glass (only 3.74% of the mass was lost at 850 °C). Scanning electron microscopy-energy dispersive spectrometry images showed that most of the AgI was uniformly immobilized in the glass network. X-ray photoelectron spectrometry and NMR results confirmed the change in the coordination number of boron in the samples. The density functional theory calculation helped to understand the reason for the stable presence of iodine in boron glass. Iodine atoms were difficult to bond directly with boron atoms but tended to bond with bismuth atoms. From the spatial distribution of the structural molecular orbitals, it was observed that the bismuth atom releases electrons when stimulated, and the iodine atom needs to gain an electron to reach stability. At a low treatment temperature of 550 °C, the maximum density of the immobilized sample containing bismuth is 2.42 g·cm-3, and its iodine leaching rate at day 7 can be as low as 3.77 × 10-6 g·m-2·d-1. This study provides a way to improve the properties of boron glass microscopically in the future.
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