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First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC
Liao, Ting1,2; Wang, Jingyang1; Zhou, Yanchun1
Corresponding AuthorLiao, Ting()
2008-12-29
Source PublicationAPPLIED PHYSICS LETTERS
ISSN0003-6951
Volume93Issue:26Pages:3
AbstractWe use first-principles calculations to study the energetics of intrinsic defects in Ti2AlC and the effect of N or O impurity atoms on the generation of Al vacancies. The insertion of impurity atoms lowers the vacancy formation energy of its neighboring Al. The formation of Al vacancies is related to the experimental observations of growth of AlN or Al2O3 nanowires and nanofibers on the surface of Ti2AlC. Since the growth of these nanostructures is controlled by the generation and migration of intrinsic defects, we propose that a tunable method for synthesis of such nanostructures is possible by controlling impurities.
Keywordab initio calculations aluminium compounds nanotechnology nanowires nitrogen oxygen titanium compounds vacancies (crystal)
Funding OrganizationNational Outstanding Young Scientist Foundation ; Natural Sciences Foundation of China
DOI10.1063/1.3058718
Indexed BySCI
Language英语
Funding ProjectNational Outstanding Young Scientist Foundation ; Natural Sciences Foundation of China[50832008] ; Natural Sciences Foundation of China[50672102]
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000262225700032
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:35[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/94574
Collection中国科学院金属研究所
Corresponding AuthorLiao, Ting
Affiliation1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Liao, Ting,Wang, Jingyang,Zhou, Yanchun. First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC[J]. APPLIED PHYSICS LETTERS,2008,93(26):3.
APA Liao, Ting,Wang, Jingyang,&Zhou, Yanchun.(2008).First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC.APPLIED PHYSICS LETTERS,93(26),3.
MLA Liao, Ting,et al."First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC".APPLIED PHYSICS LETTERS 93.26(2008):3.
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