Energetic and electronic properties of hydrogen passivated zno nanowires
文献类型：期刊论文
| 作者 | Fan, Wei1,2; Rosa, A. L.3; Frauenheim, Th.3; Zhang, R. Q.1,4 |
| 刊名 | Solid state communications
 |
| 出版日期 | 2008-10-01 |
| 卷号 | 148期号:3-4页码:101-104 |
| 关键词 | Nanostructures Crystal structure and symmetry Electronic band structure |
| ISSN号 | 0038-1098 |
| DOI | 10.1016/j.ssc.2008.08.003 |
| 通讯作者 | Fan, wei(mail.fanwei@gmail.com) |
| 英文摘要 | We investigated the hydrogen passivation to zinc oxide (zno) nanowires. the relaxations of the nanowires are different. we found the zinc ions with dangling bonds are more likely to hybridize than the oxygen ions. when all of the surface oxygen atoms are passivated, the surface zinc ions relax towards the neighboring surface zinc and try to hybridize each other. this behavior introduces new bands into the gap which change the electronic properties. on the other hand, band gap is increased when hydrogen atoms passivate zinc ions. the wire with all the surface ions passivated by hydrogen is energetically the most stable one. (c) 2008 elsevier ltd. all rights reserved. |
| WOS关键词 | ZINC-OXIDE ; AB-INITIO |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000260022600004 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2391334 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Fan, Wei |
| 作者单位 | 1.Chinese Acad Sci, Nanoorgan Photoelect Lab, Tech Inst Phys & Chem, Beijing 100190, Peoples R China 2.Grad Univ Chinese Acad Sci, Beijing 100190, Peoples R China 3.Univ Bremen, BCCMS, D-28359 Bremen, Germany 4.City Univ Hong Kong, Dept Phys & Mat Sci, Ctr Super Diamond & Adv Films, Hong Kong, Hong Kong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Fan, Wei,Rosa, A. L.,Frauenheim, Th.,et al. Energetic and electronic properties of hydrogen passivated zno nanowires[J]. Solid state communications,2008,148(3-4):101-104. |
| APA | Fan, Wei,Rosa, A. L.,Frauenheim, Th.,&Zhang, R. Q..(2008).Energetic and electronic properties of hydrogen passivated zno nanowires.Solid state communications,148(3-4),101-104. |
| MLA | Fan, Wei,et al."Energetic and electronic properties of hydrogen passivated zno nanowires".Solid state communications 148.3-4(2008):101-104. |
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来源：中国科学院大学
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