| First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC | |
| Liao, Ting1,2; Wang, Jingyang1; Zhou, Yanchun1 | |
| Corresponding Author | Liao, Ting() |
| 2008-12-29 | |
| Source Publication | APPLIED PHYSICS LETTERS
 |
| ISSN | 0003-6951 |
| Volume | 93Issue:26Pages:3 |
| Abstract | We 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. |
| Keyword | ab initio calculations aluminium compounds nanotechnology nanowires nitrogen oxygen titanium compounds vacancies (crystal) |
| Funding Organization | National Outstanding Young Scientist Foundation ; Natural Sciences Foundation of China |
| DOI | 10.1063/1.3058718 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Outstanding Young Scientist Foundation ; Natural Sciences Foundation of China[50832008] ; Natural Sciences Foundation of China[50672102] |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied |
| WOS ID | WOS:000262225700032 |
| Publisher | AMER INST PHYSICS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/94574 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Liao, Ting |
| Affiliation | 1.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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