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Ordered structures of defect clusters in gadolinium-doped ceria
Li, Zhi-Peng1; Mori, Toshiyuki1; Ye, Fei2; Ou, Dingrong3; Zou, Jin4,5; Drennan, John5
刊名JOURNAL OF CHEMICAL PHYSICS
2011-06-14
DOI10.1063/1.3599089
134期:22
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]OXYGEN-ION CONDUCTIVITY ; OXIDE FUEL-CELLS ; ELECTROLYTIC PROPERTIES ; SOLID ELECTROLYTES ; CEO2 ; MICROSTRUCTURES ; MORPHOLOGY ; SYSTEMS ; ANODE
英文摘要The nano-domain, with short-range ordered structure, has been widely observed in rare-earth-doped ceria. Atomistic simulation has been employed to investigate the ordering structure of the nano-domain, as a result of aggregation and segregation of dopant cations and the associated oxygen vacancies in gadolinium-doped ceria. It is found that the binding energy of defect cluster increases as a function of cluster size, which provides the intrinsic driving force for the defect cluster growth. However, the ordered structures of the defect clusters are different from the chain model as previously reported. Adjacent oxygen vacancies prefer to locate along < 110 >/2 lattice vector, which results in a unique stable structure (isosceles triangle) formation. Such isosceles triangle structure can act as the smallest unit of cluster growth to form a symmetric dumbbell structure. This unique dumbbell structure is hence considered as a building block for the development of larger defect clusters, leading to nano-domain formation in rare-earth-doped ceria. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3599089]
语种英语
WOS记录号WOS:000291660200034
引用统计
被引频次:21[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142357
专题中国科学院大连化学物理研究所
作者单位1.Natl Inst Mat Sci, Global Res Ctr Environm & Energy Based Nanomat Sc, Tsukuba, Ibaraki 3050044, Japan
2.Dalian Univ Technol, Sch Mat Sci & Engn, Key Lab Mat Modificat, Dalian 116024, Liaoning, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, Lab Fuel Cells, Dalian 116023, Liaoning, Peoples R China
4.Univ Queensland, Sch Engn, Brisbane, Qld 4072, Australia
5.Univ Queensland, Ctr Microscopy & Microanal, Brisbane, Qld 4072, Australia
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GB/T 7714
Li, Zhi-Peng,Mori, Toshiyuki,Ye, Fei,et al. Ordered structures of defect clusters in gadolinium-doped ceria[J]. JOURNAL OF CHEMICAL PHYSICS,2011,134(22).
APA Li, Zhi-Peng,Mori, Toshiyuki,Ye, Fei,Ou, Dingrong,Zou, Jin,&Drennan, John.(2011).Ordered structures of defect clusters in gadolinium-doped ceria.JOURNAL OF CHEMICAL PHYSICS,134(22).
MLA Li, Zhi-Peng,et al."Ordered structures of defect clusters in gadolinium-doped ceria".JOURNAL OF CHEMICAL PHYSICS 134.22(2011).
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