• 综合
  • 标题
  • 关键词
  • 摘要
  • 学者
  • 期刊-刊名
  • 期刊-ISSN
  • 会议名称
搜索

作者:

Geng, J. (Geng, J..) | Wang, K. (Wang, K..)

收录:

Scopus PKU CSCD

摘要:

Background: Chemical sensors that work as electronic noses have attracted extensive attention, yet research about sensor application of C-doped boron nitride nanotubes is still rare. Purpose: In order to realize the gas sensing properties of boron nitride nanotubes (BNNTs) and C-doped BNNTs for some small gas molecules, such as NO2, O2 and F2, we calculated the adsorption property of those gas molecules. Methods: The gas sensing properties of C-doped BNNTs for some small gas molecules have been investigated by using the density functional theory. Results: The interaction distance between gas molecule and BNNT and adsorption energy of gas molecule on the BNNTs and the C-doped BNNTs are obtained by density functional theory (DFT) calculation. We also calculated the electron densities of states for an O2 molecule or a NO2 molecule or a F2 molecule to adsorb on the different positions of C-doped BNNTs. Conclusion: The calculated results show that BNNTs present high sensitivity to the gaseous NO2, O2 and F2 molecules. The chemical reactivity of BNNTs has been changed by carbon molecules, and C-doped BNNTs can improve the interaction between the gas molecules and the BNNTs. © 2016, Science Press. All right reserved.

关键词:

Adsorption; C-doped boron nitride nanotubes; Density functional theory; Gas molecules

作者机构:

  • [ 1 ] [Geng, J.]Institute of Microstructure and Properties of Advanced Materials, Beijing University of Technology, Beijing, 100124, China
  • [ 2 ] [Geng, J.]School of Physics and Electronic Engineering, Taishan University, Tai'an, 271021, China
  • [ 3 ] [Wang, K.]Institute of Microstructure and Properties of Advanced Materials, Beijing University of Technology, Beijing, 100124, China

通讯作者信息:

电子邮件地址:

查看成果更多字段

相关关键词:

相关文章:

来源 :

Nuclear Techniques

ISSN: 0253-3219

年份: 2016

期: 5

卷: 39

被引次数:

WoS核心集被引频次:

SCOPUS被引频次: 4

ESI高被引论文在榜: 0 展开所有

万方被引频次:

中文被引频次:

近30日浏览量: 6

在线人数/总访问数:242/4298067
地址:北京工业大学图书馆(北京市朝阳区平乐园100号 邮编:100124) 联系我们:010-67392185
版权所有:北京工业大学图书馆 站点建设与维护:北京爱琴海乐之技术有限公司