Paper Title:
First-Principles Study of Adsorption Properties of NO2 on Boron-Doped Silicon Carbide Nanotube
  Abstract

To explore a novel sensor to detect the presence of nitrogen dioxide (NO2), we investigate reactivity of boron-doped (B-doped) single-walled (8,0) silicon carbide nanotube (SiCNT) with NO2. Based on density functional theory, the structure and electronic properties of the B-doped SiCNT with and without the adsorption of NO2 molecule have been calculated. Results show that a stable adsorption between the nanotube and the gas molecule is formed and the conductivity of the SiCNT is improved obviously. B-doped SiCNT is expected to be a potential candidate for detecting the presence of NO2.

  Info
Periodical
Materials Science Forum (Volumes 675-677)
Edited by
Yi Tan and Dongying Ju
Pages
1015-1018
DOI
10.4028/www.scientific.net/MSF.675-677.1015
Citation
R. X. Ding, Y. T. Yang, J. X. Song, "First-Principles Study of Adsorption Properties of NO2 on Boron-Doped Silicon Carbide Nanotube", Materials Science Forum, Vols. 675-677, pp. 1015-1018, 2011
Online since
February 2011
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