Theoretical study of the NO, NO2, CO, SO2, and NH3 adsorptions on multi-diameter single-wall MoS2 nanotube
文献类型：期刊论文
| 作者 | Cao, Rongfang; Zhou, Bo; Jia, Cuifang; Zhang, Xiaodong; Jiang, Zhenyi |
| 刊名 | JOURNAL OF PHYSICS D-APPLIED PHYSICS
 |
| 出版日期 | 2016-02-03 |
| 卷号 | 49页码:8 |
| 关键词 | MoS2 nanotube MoS2 monolayer molecular adsorption first-principles calculations |
| ISSN号 | 0022-3727 |
| DOI | 10.1088/0022-3727/49/4/045106 |
| 英文摘要 | On the basis of first-principles calculations, the ability of a single-wall MoS2 nanotube to detect NO, NO2, CO, SO2, and NH3 gas molecules is studied. The most stable adsorption configurations, adsorption energies, and charge transfers are calculated. Among these gas molecules, the NO molecule has the biggest interaction with the MoS2 nanotube. The adsorption energy of NO on the nanotube is 129.3 meV, which is almost double compared to that for the monolayer (74.4 meV). The charge density difference calculation shows that all the molecules on the MoS2 nanotube act as electron acceptors except NH3. The charge transfer between NO and the nanotube is still one order of magnitude higher than that for the monolayer. Compared with the results for these molecules adsorbed on the MoS2 monolayer, the nanotube is more sensitive, especially for the NO molecule. Moreover, a comparative study of MoS2 nanotubes with different diameters (curvatures) indicates that the NO adsorption capability of the outer surface decreases on the increasing radius. It is predicted that the MoS2 nanotube with a smaller diameter should increase the stability and sensitivity of MoS2-based field-effect-transistor (FET) sensors. |
| WOS关键词 | MONO LAYER MOS2 ; ELECTRONIC-PROPERTIES ; GAS SENSORS ; GRAPHENE ; SENSITIVITY ; MOLECULES |
| 资助项目 | National Science Foundation of China[11104219] ; National Science Foundation of China[51572219] ; Project of Natural Science Foundation of Shaanxi Province of China[2015JM1018] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000368096500016 |
| 出版者 | IOP PUBLISHING LTD |
| 资助机构 | National Science Foundation of China ; Project of Natural Science Foundation of Shaanxi Province of China |
| 源URL | [http://119.78.100.186/handle/113462/41384]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Cao, Rongfang |
| 作者单位 | NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cao, Rongfang,Zhou, Bo,Jia, Cuifang,et al. Theoretical study of the NO, NO2, CO, SO2, and NH3 adsorptions on multi-diameter single-wall MoS2 nanotube[J]. JOURNAL OF PHYSICS D-APPLIED PHYSICS,2016,49:8. |
| APA | Cao, Rongfang,Zhou, Bo,Jia, Cuifang,Zhang, Xiaodong,&Jiang, Zhenyi.(2016).Theoretical study of the NO, NO2, CO, SO2, and NH3 adsorptions on multi-diameter single-wall MoS2 nanotube.JOURNAL OF PHYSICS D-APPLIED PHYSICS,49,8. |
| MLA | Cao, Rongfang,et al."Theoretical study of the NO, NO2, CO, SO2, and NH3 adsorptions on multi-diameter single-wall MoS2 nanotube".JOURNAL OF PHYSICS D-APPLIED PHYSICS 49(2016):8. |
入库方式： OAI收割
来源：近代物理研究所
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。