Vibrational spectroscopy analysis of silica and silicate glass networks
Vibrational spectroscopy analysis of silica and silicate glass networks
复制标题
二氧化硅和硅酸盐玻璃网络的振动光谱分析
DOI：
10.1111/jace.18206
复制
发表时间：
2021
影响因子：
3.9
通讯作者：
Kim, Seong H.
中科院分区：
文献类型：
--
作者：
Liu, Hongshen;Kaya, Huseyin;Lin, Yen‐Ting;Ogrinc, Andrew;Kim, Seong H.
振动光谱已被广泛用于研究玻璃网络的各种结构方面，并且有大量的论文报道了玻璃的红外和拉曼光谱特征在玻璃组成、热历史、机械应力或表面处理改变时的微妙但一致的变化。然而，由于缺乏精确描述非晶玻璃网络振动模式的成熟物理原理，对这些光谱特征的解释仍然模糊不清。由于玻璃网络的非平衡性质，三维连接没有任何长程有序，玻璃的振动光谱特征不能用孤立分子部分或晶体对应物的类似物来解释。这篇专题文章解释了为什么这样的比较已经过时，并描述了从理论计算非晶网络的振动光谱特征或计算结果与实验数据的比较中取得的最新进展。对于二氧化硅和硅酸盐玻璃的振动光谱特征的解释，提出了以下经验关系：（i）Si-O-Si拉伸模式的强度加权峰位置与Si-O键长分布的加权平均值负相关，以及（ii）Si-O-Si弯曲模式的宽带与Si-O-Si键角分布负相关。选定的例子的表面缺陷的振动光谱成像进行了讨论，以审议这些发现的影响，在二氧化硅和硅酸盐玻璃材料的结构-性能关系。未回答的问题和持续的研究挑战被确定。
Vibrational spectroscopy has been widely used to investigate various structural aspects of the glass network, and there are a plethora of papers reporting subtle but consistent changes in infrared and Raman spectral features of glass upon alterations of glass compositions, thermal histories, mechanical stresses, or surface treatments. However, interpretations of such spectral features are still obscured due to the lack of well‐established physical principles accurately describing vibrational modes of the non‐crystalline glass network. Due to the non‐equilibrium nature of the glass network, three‐dimensionally connected without any long‐range orders, vibrational spectral features of glass cannot be interpreted using the analogy with those of isolated molecular moieties or crystalline counterparts. This feature article explains why such comparisons are outdated and describes the recent advances made from theoretical calculations of vibrational spectral features of amorphous networks or comparisons of computational results with experimental data. For the interpretation of vibrational spectral features of silica and silicate glasses, the following empirical relationships are suggested: (i) the intensity‐weighted peak position of the Si‐O‐Si stretch mode negatively correlates with the weighted average of the Si‐O bond length distribution, and (ii) the broad band of the Si‐O‐Si bending mode negatively correlates with the Si‐O‐Si bond angle distribution. Selected examples of vibrational spectroscopic imaging of surface defects are discussed to deliberate the implication of these findings in the structure‐property relationship of silica and silicate glass materials. Unanswered questions and continuing research challenges are identified.
一些硅酸盐结构的红外吸收研究
影响因子：
--
作者：
B. Saksena
通讯作者：
B. Saksena
DOI：
10.1098/rspa.1965.0007
发表时间：
1965
期刊：
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
影响因子：
--
作者：
P. Dean;M. D. Bacon
通讯作者：
M. D. Bacon