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

Author:

Sun Kai,Fan Zhi Qin1,Liu Xiu Ying1

Affiliation:

1. Henan University of Technology

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.

Publisher

Trans Tech Publications, Ltd.

Subject

General Engineering

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