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	Insights into b-site ordering in double perovskite-type ba3ca1+xnb2-xo9-delta (0 <= x <= 0.45): combined synchrotron and neutron diffraction and electrical transport analyses
	Singh, Kalpana1; Kan, Wang Hay2; Patton, Bailey1; Huq, Ashfia3; Thangadurai, Venkataraman1
刊名	Inorganic chemistry
	2018-03-05
卷号	57期号:5页码:2609-2619
ISSN号	0020-1669
DOI	10.1021/acs.inorgchem.7b02984
通讯作者	Thangadurai, venkataraman(vthangad@ucalgary.ca)
英文摘要	Perovskite-type metal oxides are being used in a wide range of technologies, including fuel cells, batteries, electrolyzers, dielectric capacitors, and sensors. one of their remarkable structural properties is cationic ordering in a or b sites, which affects electrical transport properties under different gaseous atmospheres, and chemical stability under co2 and humid conditions. for example, a simple-perovskite-type y-doped baceo3 forms baco3 and ((ce,y)o2-delta) under co2 at elevated temperature, while b-site-ordered double-perovskite-type ba3ca1.18nb1.82o9-delta remains chemically stable under the same conditions. early structural studies on ba3ca1+xnb2-xo9-delta (bcn) showed that the b-site ordering (1:1) is sensitive to the ca content. however, ambiguity rises, as 1:2 b-site ordering was not observed in the parent and doped analogues when x was varied, which motivated us to revisit the complex oxides bcn (x = 0-0.45) to determine the atomic structure by a mean of combined synchrotron x-ray and neutron diffraction methods. surprisingly, the b-site ordering increases with increasing ca/nb mixing in the b-sites in bcn. in addition, the electrical conductivity of bcn was found to be the highest at x = similar to 0.18, and it decreased as the ca/nb ratio further increased in bcn. such a result was very similar to that for the y-doped bazro3, where the mobility of proton carriers was found to decrease as the dopant (y) increased. a higher ca/nb ratio also promotes the growth of grain size, as ca ions could serve as a sintering aid, improving the structural integrity.
WOS关键词	PROTON CONDUCTION ; CRYSTAL-STRUCTURE ; CATION NONSTOICHIOMETRY ; ION CONDUCTIVITY ; DOPED BACEO3 ; METAL-OXIDES ; BOND-VALENCE ; FE ; DOPANT ; CO
WOS研究方向	Chemistry
WOS类目	Chemistry, Inorganic & Nuclear
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000427094000033
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2178179
专题	高能物理研究所
通讯作者	Thangadurai, Venkataraman
作者单位	1.Univ Calgary, Dept Chem, 2500 Univ Dr NW, Calgary, AB T2N 1N4, Canada 2.Chinese Acad Sci, Dongguan Inst Neutron Sci, Inst High Energy Phys, China Spallat Neutron Source, Dongguan 523803, Peoples R China 3.Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA
推荐引用方式 GB/T 7714	Singh, Kalpana,Kan, Wang Hay,Patton, Bailey,et al. Insights into b-site ordering in double perovskite-type ba3ca1+xnb2-xo9-delta (0 <= x <= 0.45): combined synchrotron and neutron diffraction and electrical transport analyses[J]. Inorganic chemistry,2018,57(5):2609-2619.
APA	Singh, Kalpana,Kan, Wang Hay,Patton, Bailey,Huq, Ashfia,&Thangadurai, Venkataraman.(2018).Insights into b-site ordering in double perovskite-type ba3ca1+xnb2-xo9-delta (0 <= x <= 0.45): combined synchrotron and neutron diffraction and electrical transport analyses.Inorganic chemistry,57(5),2609-2619.
MLA	Singh, Kalpana,et al."Insights into b-site ordering in double perovskite-type ba3ca1+xnb2-xo9-delta (0 <= x <= 0.45): combined synchrotron and neutron diffraction and electrical transport analyses".Inorganic chemistry 57.5(2018):2609-2619.

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