Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts

doi:10.1111/jace.17957

CORC > 青海盐湖研究所 > 中国科学院青海盐湖研究所 > 盐湖资源与化学实验室

	Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts
	Ge, Xuan; Xu, Jun; Hu, Qiaodan; Qiu, Ren; Lai, Pingsheng; Han, Yanfeng; Yang, Fan; Zhou, Yongquan; Qin, Jingyu; Yu, Pengfei
刊名	JOURNAL OF THE AMERICAN CERAMIC SOCIETY
	2021-12
卷号	104 期号:12 页码:6207-6226
ISSN号	0002-7820
DOI	10.1111/jace.17957
英文摘要	Although remarkable development of titanate-based glasses has been achieved, challenge remains to elucidate the correlation between structure and glass-forming properties in these systems due to their complex structure that is inconsistent with the classic Zachariasen's model. In this work, we aim to correlate the structural evolution of titanate melts to their glass-forming ability (GFA). The prototypical material barium dititanate (BaTi2O5, BT2) melts with different GFA were rendered by controlled melting atmospheres, and the corresponding structural changes were determined using in situ high-energy synchrotron X-ray diffraction combined with empirical potential structure refinement and ab initio molecular dynamics. The results show that BT2 melt in reducing atmosphere shows poor GFA but that in oxidizing atmosphere presents good GFA. Structural analysis demonstrates the mean coordination number of [TiOm] polyhedra is analogous in the melt under two different atmospheres but an enhanced heterogeneous cations aggregation takes place in the melt under reducing atmosphere, which is closely related to oxygen-deficiencies. Furthermore, we reveal that the enhanced heterogeneous cations aggregation promotes crystallization (and therefore hinders glass formation) through disordering the distribution of [TiOm] and [BaOn] polyhedra, changing the connectivity between these polyhedra, creating more crystal-like Ti-Ti clusters, and decreasing topological disorder of BT2 melt. Our work provides a new viewpoint to understand the GFA of titanates melt from structural heterogeneity beyond the previous perspectives that only focus on [TiOm] polyhedra.
内容类型	期刊论文
源URL	[http://ir.isl.ac.cn/handle/363002/34353]
专题	青海盐湖研究所_盐湖资源与化学实验室
推荐引用方式 GB/T 7714	Ge, Xuan,Xu, Jun,Hu, Qiaodan,et al. Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts[J]. JOURNAL OF THE AMERICAN CERAMIC SOCIETY,2021,104(12):6207-6226.
APA	Ge, Xuan.,Xu, Jun.,Hu, Qiaodan.,Qiu, Ren.,Lai, Pingsheng.,...&Li, Jianguo.(2021).Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts.JOURNAL OF THE AMERICAN CERAMIC SOCIETY,104(12),6207-6226.
MLA	Ge, Xuan,et al."Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts".JOURNAL OF THE AMERICAN CERAMIC SOCIETY 104.12(2021):6207-6226.