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Author:

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

Indexed by:

Scopus PKU CSCD

Abstract:

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.

Keyword:

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

Author Community:

  • [ 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

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Source :

Nuclear Techniques

ISSN: 0253-3219

Year: 2016

Issue: 5

Volume: 39

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 4

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 5

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