Density Functional Theory Study of Influence of Hydrogen Absorption on the Field Emission Properties of Carbon Nanotubes

Abstract:

The field-emission properties of capped(5, 5) single-walled carbon nanotubes with hydrogen adsorbed on the tip with and without an applied electric field have been investigated using first-principles density-functional theory. It is found that the structure of carbon nanotubes with hydrogen molecules is stable under field-emission conditions. The local density of states at the Fermi level increases with the adsorption of hydrogen molecules. These results elucidate that the field-emission properties of carbon nanotubes can be enhanced by the adsorption of hydrogen molecules, and are consistent with the experimental results.

• Periodical: Advanced Materials Research (Volumes 306-307)
• Pages: 1166-1169
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.306-307.1166
• Online since: August 2011
• Authors: Kai Sun, Zhi Qin Fan, Xiu Ying Liu
• Keywords: Carbon Nanotube (CN), Density Function Theory (DFT), Field Emission, Hydrogen Absorption

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