Theoretical study on the structural and electronic properties of the reduced SnO2(110)Surface
文献类型：期刊论文
| 作者 | Y. F. Zhang ; W. Lin ; Q. W. Wang ; Y. Li ; J. Q. Li |
| 刊名 | Chinese Journal of Structural Chemistry
 |
| 出版日期 | 2007 |
| 卷号 | 26期号:5页码:606-612 |
| 关键词 | SnO2(110) surface band structure defect state total-energy calculations wave basis-set oxygen vacancies sno2 110 surface states |
| ISSN号 | 0254-5861 |
| 中文摘要 | The reduced SnO(2()110) surface has been investigated by using first-principles method with a slab model. By examining the vacancy formation energy of three kinds of reduced SnO2(110) surfaces, the most energetically favorable defect surface is confirmed to be the surface with the coexistence of bridging and in-plane oxygen 'vacancies, which is different with the traditional odel by only removing bridging oxygen. The results of band structure calculations indicate that the electronic structure of this defect surface is similar to the SnO surface. |
| 语种 | 英语 |
| 公开日期 | 2013-04-01 |
| 源URL | [http://ir.fjirsm.ac.cn/handle/350002/6892]  |
| 专题 | 福建物质结构研究所_中科院福建物质结构研究所_期刊论文 |
| 推荐引用方式 GB/T 7714 | Y. F. Zhang,W. Lin,Q. W. Wang,et al. Theoretical study on the structural and electronic properties of the reduced SnO2(110)Surface[J]. Chinese Journal of Structural Chemistry,2007,26(5):606-612. |
| APA | Y. F. Zhang,W. Lin,Q. W. Wang,Y. Li,&J. Q. Li.(2007).Theoretical study on the structural and electronic properties of the reduced SnO2(110)Surface.Chinese Journal of Structural Chemistry,26(5),606-612. |
| MLA | Y. F. Zhang,et al."Theoretical study on the structural and electronic properties of the reduced SnO2(110)Surface".Chinese Journal of Structural Chemistry 26.5(2007):606-612. |
入库方式： OAI收割
来源：福建物质结构研究所
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