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

doi:10.1021/acs.inorgchem.7b02984

	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
	Patton, B; Jian HX(简宏希); Singh, K; Thangadurai, V; Huq, A; Kan, WH
刊名	INORGANIC CHEMISTRY
	2018
卷号	57 期号:5 页码:2609-2619
ISSN号	0020-1669
DOI	10.1021/acs.inorgchem.7b02984
文献子类	Article
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.
电子版国际标准刊号	1520-510X
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
语种	英语
WOS记录号	WOS:000427094000033
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/285775]
专题	高能物理研究所_东莞分部
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Patton, B,Jian HX,Singh, K,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	Patton, B,简宏希,Singh, K,Thangadurai, V,Huq, A,&Kan, WH.(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	Patton, B,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.