Density Functional Theory Study of Influence of Hydrogen Adsorption on the Field Emission Properties of Open-Ended Carbon Nanotubes

2012 ◽  
Vol 49 (9) ◽  
pp. 092501
Author(s):  
张君德 Zhang Junde ◽  
樊志琴 Fan Zhiqin ◽  
孙凯 Sun Kai
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional Theory ◽  
Field Emission ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Emission Properties ◽  
Field Emission Properties

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

2011 ◽  
Vol 306-307 ◽  
pp. 1166-1169
Author(s):  
Kai Sun ◽  
Zhi Qin Fan ◽  
Xiu Ying Liu
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional Theory ◽  
Field Emission ◽  
Density Functional ◽  
Local Density ◽  
Functional Theory ◽  
Emission Properties ◽  
Field Emission Properties ◽  
Hydrogen Molecules ◽  
Adsorption Of Hydrogen

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.

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

2012 ◽  
Vol 512-515 ◽  
pp. 1579-1582
Author(s):  
Zhi Qin Fan ◽  
Rui Li ◽  
Gen Wang Cai ◽  
Jian Xing Wang ◽  
Jun De Zhang
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional Theory ◽  
Electric Field ◽  
Field Emission ◽  
Applied Electric Field ◽  
Density Functional ◽  
Hydrogen Molecule ◽  
Functional Theory ◽  
Field Emission Properties ◽  
Hydrogen Molecules

Using first-principles density-functional theory investigate (5, 5) capped single-walled carbon nanotubes adsorbed at one end by hydrogen molecule with and without an applied electric field. It is found that the structure of carbon nanotubes with hydrogen molecules is stable under field-emission conditions. The induced dipole moments is the direction of the applied electric field，and the LUMO-HOMO energy gaps decrease. 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.

Sign in / Sign up

Export Citation Format

Share Document