Structural investigation of lithium borate glasses by Raman spectroscopy: Quantitative evaluation of structural units and its correlation with density
Structural investigation of lithium borate glasses by Raman spectroscopy: Quantitative evaluation of structural units and its correlation with density
复制标题
通过拉曼光谱研究硼酸锂玻璃的结构：结构单元的定量评价及其与密度的相关性
DOI：
10.1016/j.jnoncrysol.2023.122478
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发表时间：
2023
影响因子：
3.5
通讯作者：
Zhu, Fayan
中科院分区：
文献类型：
--
作者：
Song, Lulu;Wang, Yunxia;Hannon, Alex C.;Feller, Steve;Li, Wu;Zhou, Yongquan;Zhu, Fayan
硼酸锂玻璃是一个被广泛研究的体系，主要是因为它具有良好的离子导电性、导热性和热释光性能。硼酸锂玻璃的性能是由其结构决定的，微观结构单元的变化对其性能有很大影响。本文采用拉曼光谱结合峰拟合和密度分析的方法研究了⋅(1-x)B_2O_3(0.1x≤x≤_(0.48))玻璃。通过拉曼光谱的定量分析，得到了随着Li2O含量的增加，各结构单元的变化趋势以及四配位硼含量(N4)的变化。特别是提出了较为详细的结构单元归属和一般的结构单元转化机理，以及性能(质量密度、摩尔体积等)的常见拐点。发现了结构单元含量的变化。利用遗传函数近似算法建立了锂硼酸锂玻璃的质量密度、原子密度和摩尔体积与基本结构单元(B？3、B？2O？−和B？4？−)之间的关系。研究xLi_2O-⋅(1-x)B_2O_3(0-≤x≤_(0.48))玻璃网络中的结构单元以及各结构单元之间的相互转化机制有助于探索结构单元变化对宏观性能的影响。
Lithium borate glass is a widely studied system, mainly due to its good ionic conductivity, thermal conductivity and thermoluminescence properties. The properties of lithium borate glass are determined by its structure, and the change of microstructure unit has great influence on its properties. In this work, thexLi2O⋅(1-x) B2O3(0.1 ≤x≤ 0.48) glass was studied by Raman spectroscopy combined with peaks fitting and density analysis. Through quantitative analysis of Raman spectrum, the change in trend of each structural unit as well as the change of the tetracoordinated boron content (N4) were obtained with the increase of Li2O content. Especially, a more detailed assignment and general transformation mechanism of structural units were presented, and the common inflection points of properties (mass density, molar volume, etc.) and structural units content changes were found. The correlation between the properties (mass density, atomic density and molar volume) and the basic structural units (BØ3, BØ2O−and BØ4−) of the lithium borate glass was established by the genetic function approximation algorithm (GFA). The study on the structural units inxLi2O⋅(1-x) B2O3(0 ≤x≤ 0.48) glass network and the mutual transformation mechanism between each structural unit is helpful to explore the effects on macroscopic properties as the structural units change.