Selection of optimum composition of aluminoborosilicate glasses with excellent dielectric properties according to orthogonal experiment design

Zhang, Lulu; Lu, Yucheng; Kang, Jian; Shi, Qingshun; Wang, Yanling; Qu, Yanbin; Yue, Yunlong

doi:10.1007/s10854-018-8545-y

Cited by 17 publications

(2 citation statements)

References 29 publications

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“…Due to the strong composition and melting condition dependence of both oxidation and coordination states, a systematic study that combines multiple characterization techniques, as well as atomistic simulations with the recent potential development that enable MD simulations of multicomponent borosilicate glasses, would be necessary to gain insights of the complex oxidation and coordination behaviors of vanadium ions in these multicomponent glasses. In this work, we aim to focus on aluminoborosilicate glasses due to their importance and wide uses in many applications such as nuclear waste disposal, liquid-crystal-display substrates, glass fiber, and printed circuit board . A six-component aluminoborosilicate glass, international simple glass (ISG), was selected as the base glass.…”

Section: Introductionmentioning

confidence: 99%

“…In this work, we aim to focus on aluminoborosilicate glasses due to their importance and wide uses in many applications such as nuclear waste disposal, 40 liquid-crystal-display substrates, 41 glass fiber, 42 and printed circuit board. 43 A sixcomponent aluminoborosilicate glass, international simple glass (ISG), was selected as the base glass. ISG is a simplified composition of high-level waste (HLW) glasses designed for the international collaborative study of the corrosion mechanism of complex waste glasses.…”

Section: Introductionmentioning

confidence: 99%

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Vanadium Oxidation States and Structural Role in Aluminoborosilicate Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study

Deng

Saslow

et al. 2021

J. Phys. Chem. B

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Vanadium-containing glasses have aroused interest in several fields such as electrodes for energy storage, semiconducting glasses, and nuclear waste disposal. The addition of V 2 O 5 , even in small amounts, can greatly alter the physical properties and chemical durability of glasses; however, the structural role of vanadium in these multicomponent glasses and the structural origins of these property changes are still poorly understood. We present a comprehensive study that integrates advanced characterizations and atomistic simulations to understand the composition−structure− property relationships of a series of vanadium-containing aluminoborosilicate glasses. UV−vis spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption near-edge structure (XANES) have been used to investigate the complex distribution of vanadium oxidation states as a function of composition in a series of six-component aluminoborosilicate glasses. High-energy X-ray diffraction and molecular dynamics simulations were performed to extract the detailed short-and medium-range atomistic structural information such as bond distance, coordination number, bond angle, and network connectivity, based on recently developed vanadium potential parameters. It was found that vanadium mainly exists in two oxidation states: V 5+ and V 4+ , with the former being dominant (∼80% from XANES) in most compositions. V 5+ ions were found to exist in 4-, 5-, and 6-fold coordination, while V 4+ ions were mainly in 4-fold coordination. The percentage of 4-fold-coordinated boron and network connectivity initially increased with increasing V 2 O 5 up to around 5 mol % but then decreased with higher V 2 O 5 contents. The structural role of vanadium and the effect on glass structure and properties are discussed, providing insights into future studies of sophisticated structural descriptors to predict glass properties from composition and/or structure and aiding the formulation of borosilicate glasses for nuclear waste disposal and other applications.

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Section: Introductionmentioning

confidence: 99%