Theoretical study on polyaniline gas sensors: Examinations of response mechanism for alcohol
文献类型：期刊论文
| 作者 | Liu, SS ; Bian, LJ ; Luan, F ; Sun, MT ; Liu, XX |
| 刊名 | SYNTHETIC METALS
 |
| 出版日期 | 2012 |
| 卷号 | 162期号:9-10页码:862 |
| 关键词 | ION-DIPOLE INTERACTIONS CAPPED ANILINE TRIMERS CONDUCTING POLYMERS CHEMICAL SENSORS AB-INITIO DENSITY OLIGOANILINES EMERALDINE POLYSTYRENE NANOFIBERS |
| ISSN号 | 0379-6779 |
| 通讯作者 | Liu, XX (reprint author), Northeastern Univ, Dept Chem, Shenyang 110819, Peoples R China. |
| 中文摘要 | Geometry optimization was conducted on a series of emeraldine salt (ES) oligoanilines (2x + 2)-ES+ (x = 0, 1, 2, 3), alcohols and complexes composed of oligoanilines and alcohols by density functional theory (DFT) method at UB3LYP/6-31g (d) level. Electronic properties of complexes composed by (2x + 2)-ES+ oligoanilines with methanol, ethanol, propanol and isopropanol were investigated at higher level UB3LYP/6-311++g (d, p) to model the response of polyaniline (PANI) to alcohols. Influences of oligoaniline chain length and alcohols on the binding properties of the complexes were discussed based on the calculated results. (C) 2012 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [50973013, 10874234, 20703064] |
| 语种 | 英语 |
| 公开日期 | 2013-09-23 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/45669]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Liu, SS,Bian, LJ,Luan, F,et al. Theoretical study on polyaniline gas sensors: Examinations of response mechanism for alcohol[J]. SYNTHETIC METALS,2012,162(9-10):862. |
| APA | Liu, SS,Bian, LJ,Luan, F,Sun, MT,&Liu, XX.(2012).Theoretical study on polyaniline gas sensors: Examinations of response mechanism for alcohol.SYNTHETIC METALS,162(9-10),862. |
| MLA | Liu, SS,et al."Theoretical study on polyaniline gas sensors: Examinations of response mechanism for alcohol".SYNTHETIC METALS 162.9-10(2012):862. |
入库方式： OAI收割
来源：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。