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题名: Ordered structures of defect clusters in gadolinium-doped ceria
作者: Li, Zhi-Peng1;  Mori, Toshiyuki1;  Ye, Fei2;  Ou, Dingrong3;  Zou, Jin4, 5;  Drennan, John5
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2011-06-14
DOI: 10.1063/1.3599089
卷: 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
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]
关键词[WOS]: OXYGEN-ION CONDUCTIVITY ;  OXIDE FUEL-CELLS ;  ELECTROLYTIC PROPERTIES ;  SOLID ELECTROLYTES ;  CEO2 ;  MICROSTRUCTURES ;  MORPHOLOGY ;  SYSTEMS ;  ANODE
语种: 英语
WOS记录号: WOS:000291660200034
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142357
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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).
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