硅酸铝
自然键轨道
八面体
铝硅酸钠
材料科学
兴奋剂
钙钛矿(结构)
硅酸铝钙
分析化学(期刊)
矿物学
结晶学
晶体结构
化学
密度泛函理论
计算化学
有机化学
催化作用
光电子学
作者
Takahito Otsuka,Maria Rita Cicconi,David K. Dobesh,Barbara Schroeder,Tomokatsu Hayakawa
标识
DOI:10.1002/pssb.202200016
摘要
Aluminosilicate glasses containing octahedral NbO 6 units are developed for future applications as optical materials. Soda‐aluminosilicate glasses doped with Nb‐based alkaline perovskite crystals (K 0.5 Na 0.5 NbO 3 [KNN]) at different doping levels (2–30 mol%) are studied by 93 Nb nuclear magnetic resonance (NMR) spectroscopy. The Al 2 O 3 concentration in the starting soda‐aluminosilicate glass matrix is varied from 5 to 17 mol% to investigate the influence of the composition of local Nb structures with 4–5, 6, and 7–8 fold‐oxygen coordination on the optical properties of the glasses. The chemical shifts are analyzed by comparison with the 93 Nb NMR data of reference crystals, including KNN, to determine the feasibility of producing more NbO 6 octahedra in the aluminosilicate glasses, where these octahedra are expected to promote the development of optically active Nb‐glass‐ceramics. The data show that both glass polymerization and KNN content influence the Nb local environment. Therefore, an appropriate amount of Al 2 O 3 combined with an adequate doping level of the KNN perovskite is required to achieve the desired optical features. Contrary to expectations, a higher KNN doping level is achieved with the starting depolymerized soda‐aluminosilicate glass containing 5 mol% Al 2 O 3 , leading to perovskite‐like structures of NbO 6 octahedra in the resultant glass system.
科研通智能强力驱动
Strongly Powered by AbleSci AI