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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
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2011-06-14
DOI10.1063/1.3599089
Volume134Issue:22
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordOXYGEN-ION CONDUCTIVITY ; OXIDE FUEL-CELLS ; ELECTROLYTIC PROPERTIES ; SOLID ELECTROLYTES ; CEO2 ; MICROSTRUCTURES ; MORPHOLOGY ; SYSTEMS ; ANODE
AbstractThe 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]
Language英语
WOS IDWOS:000291660200034
Citation statistics
Cited Times:22[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/142357
Collection中国科学院大连化学物理研究所
Affiliation1.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
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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