The Effects of O2Adsorbates on Field Emission Properties of Single-Wall Carbon Nanotubes:  A Density Functional Theory Study

Nano Letters ◽  
2003 ◽  
Vol 3 (9) ◽  
pp. 1209-1214 ◽  
Author(s):  
Brahim Akdim ◽  
Xiaofeng Duan ◽  
Ruth Pachter
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional Theory ◽  
Field Emission ◽  
Density Functional ◽  
Single Wall Carbon Nanotubes ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Single Wall Carbon ◽  
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.

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