A Theoretical Study of a Single-Walled ZnO Nanotube as a Sensor for H2O Molecules
文献类型：期刊论文
| 作者 | Duan, MY ; Shi, GS（石国升） ; Wang, CL（王春雷） ; Zhou, LP ; Chen, XR ; Fang, HP（方海平） |
| 刊名 | COMMUNICATIONS IN THEORETICAL PHYSICS
 |
| 出版日期 | 2012 |
| 卷号 | 58期号:2 |
| ISSN号 | 0253-6102 |
| 英文摘要 | We have studied the property of single-walled ZnO nanotubes with adsorbed water molecules, and theoretically designed a new sensor for detecting water molecules using single-walled ZnO nanotubes using a combination of density functional theory and the non-equilibrium Green's function method. Details of the geometric structures and adsorption energies of the H2O molecules on the ZnO nanotube surface have been investigated. Our computational results demonstrate that the formation of hydrogen bonding between the H2O molecules and the ZnO nanotube, and adsorption energies of the H2O molecules on the ZnO nanotube are larger than the adsorption energies of other gas molecules present in the atmospheric environment. Moreover, the current-voltage curves of the ZnO nanotube with and without H2O molecules adsorbed on its surface are calculated, the results of which showed that the H2O molecules form stable adsorption configurations that could lead to the decrease in current. These results suggest that the single-walled ZnO nanotubes are able to detect and monitor the presence of H2O molecules by applying bias voltages. |
| 语种 | 英语 |
| WOS记录号 | WOS:000307583500018 |
| 公开日期 | 2013-09-11 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/13083]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Duan, MY,Shi, GS,Wang, CL,et al. A Theoretical Study of a Single-Walled ZnO Nanotube as a Sensor for H2O Molecules[J]. COMMUNICATIONS IN THEORETICAL PHYSICS,2012,58(2). |
| APA | Duan, MY,Shi, GS,Wang, CL,Zhou, LP,Chen, XR,&Fang, HP.(2012).A Theoretical Study of a Single-Walled ZnO Nanotube as a Sensor for H2O Molecules.COMMUNICATIONS IN THEORETICAL PHYSICS,58(2). |
| MLA | Duan, MY,et al."A Theoretical Study of a Single-Walled ZnO Nanotube as a Sensor for H2O Molecules".COMMUNICATIONS IN THEORETICAL PHYSICS 58.2(2012). |
入库方式： OAI收割
来源：上海应用物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。