Work functions of capped (5, 5) and (9, 0) single-walled carbon nanotubes adsorbed with alkali-metal atoms

2010 ◽  
Vol 96 (23) ◽  
pp. 233111 ◽  
Author(s):  
Shun-Fu Xu ◽  
Guang Yuan ◽  
Chun Li ◽  
Zhi-Jun Jia ◽  
Hitenori Mimura
Keyword(s):  
Carbon Nanotubes ◽  
Alkali Metal ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Metal Atoms ◽  
Work Functions ◽  
Walled Carbon Nanotubes

Work functions of individual single-walled carbon nanotubes

2004 ◽  
Vol 85 (1) ◽  
pp. 127-129 ◽  
Author(s):  
Satoru Suzuki ◽  
Yoshio Watanabe ◽  
Yoshikazu Homma ◽  
Shin-ya Fukuba ◽  
Stefan Heun ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Work Functions ◽  
Walled Carbon Nanotubes

Systematic Study of Work Functions of Single-walled Carbon Nanotubes

2009 ◽  
Vol 1204 ◽  
Author(s):  
Koichiro Kato ◽  
Susumu Saito
Keyword(s):  
Carbon Nanotubes ◽  
Fermi Level ◽  
Systematic Study ◽  
Density Functional ◽  
Small Diameter ◽  
Single Walled Carbon Nanotubes ◽  
Chiral Angle ◽  
Single Walled Carbon ◽  
Work Functions ◽  
Walled Carbon Nanotubes

AbstractThe work function is one of the crucial quantities in understanding their field emission properties and applying carbon nanotubes to electronic devices. We perform the systematic study of work functions of 44 kinds of isolated single-walled carbon nanotubes in the framework of the density functional theory. It has been revealed that the first-principles study plays a very important role for predicting various properties of carbon nanotubes. In general, we have to perform the structural relaxation in order to know the accurate electronic properties of carbon nanotubes. Therefore we carry out the complete geometrical relaxations for 44 kinds of carbon nanotubes and evaluate their work functions. The diameters (D) of nanotubes studied satisfy 0.3 < D < 2.0 nm. Especially, we focus on the small diameter carbon nanotubes. We determine the values of work functions from the difference between the Fermi level and the vacuum level. In the semiconducting carbon nanotubes, the Fermi level is chosen at the midgap. As a result, it is found that the carbon nanotubes should be classified into three classes according to the diameter and chiral-angle dependences of work functions.

The enhanced field emission properties of K and Rb doped (5,5) capped single-walled carbon nanotubes

RSC Advances ◽  
2015 ◽  
Vol 5 (22) ◽  
pp. 16718-16722 ◽  
Author(s):  
Yue Wang ◽  
Xin-Hua Yao ◽  
Gang Huang ◽  
Qing-Yi Shao
Keyword(s):  
Carbon Nanotubes ◽  
Alkali Metal ◽  
Field Emission ◽  
First Principles ◽  
Single Walled Carbon Nanotubes ◽  
Emission Properties ◽  
Single Walled Carbon ◽  
Field Emission Properties ◽  
Walled Carbon Nanotubes

The field emission properties of alkali metal K and Rb (AM) doped (5,5) capped single-walled carbon nanotubes (CNTs) have been investigated using first-principles theory.

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