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Journal of Nanomaterials
Volume 2013, Article ID 404923, 6 pages
http://dx.doi.org/10.1155/2013/404923
Research Article

Field Emission Properties of Carbon Nanotubes with Boron Doping and H2O Adsorption

1School of Physics and Electronic Engineering, Xianyang Normal University, Xianyang 712000, China
2School of Science, Northwestern Polytechnical University, Xi’an 710129, China
3Science and Technology on Low-Light-Level Night Vision Laboratory, Xi’an 710065, China

Received 22 August 2013; Accepted 18 November 2013

Academic Editor: Ashkan Vaziri

Copyright © 2013 Yijun Wang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Gas adsorption and atom doping usually present when preparing carbon nanotubes (CNTs) and can affect the field emission properties of carbon nanotubes. H2O molecule and boron atom are the most important adsorbates, respectively. Using ab-initio calculations, we have investigated the electron field emission performance of CNTs simultaneously adsorbed with one H2O molecule and doped with one boron atom (BCNT+H2O) in this paper. The results indicate that the electrons localize at the top of BCNT+H2O and the electronic density of states (DOS) around the Fermi level is enhanced obviously. It is expected that BCNT+H2O will be more propitious to the field emission of electrons based on the calculations of DOS, HOMO/LUMO, and Mulliken charge population.