First-principles study of field emission properties of gas adsorption on the carbon nanotubes

Gas adsorption and atom doping usually present when preparing carbon nanotubes (CNTs) and can affect the field emission properties of carbon nanotubes. H2O molecule and boron atom are the most important adsorbates, respectively. Using ab-initio calculations, we have investigated the electron field emission performance of CNTs simultaneously adsorbed with one H2O molecule and doped with one boron atom (BCNT+H2O) in this paper. The results indicate that the electrons localize at the top of BCNT+H2O and the electronic density of states (DOS) around the Fermi level is enhanced obviously. It is expected that BCNT+H2O will be more propitious to the field emission of electrons based on the calculations of DOS, HOMO/LUMO, and Mulliken charge population.

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First-principles study of field-emission properties of nanoscale graphite ribbon arrays

Physical Review B ◽

10.1103/physrevb.72.035449 ◽

2005 ◽

Vol 72 (3) ◽

Cited By ~ 25

Author(s):

S. F. Huang ◽

T. C. Leung ◽

Bin Li ◽

C. T. Chan

Keyword(s):

Field Emission ◽

First Principles ◽

Emission Properties ◽

Field Emission Properties ◽

First Principles Study

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First-principles study on field emission properties of carbon nanocone

Acta Physica Sinica ◽

10.7498/aps.58.7852 ◽

2009 ◽

Vol 58 (11) ◽

pp. 7852

Author(s):

Wang Liu-Ding ◽

Chen Guo-Dong ◽

Zhang Jiao-Qiang ◽

Yang Min ◽

Wang Yi-Jun ◽

...

Keyword(s):

Field Emission ◽

First Principles ◽

Emission Properties ◽

Field Emission Properties ◽

First Principles Study

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

RSC Advances ◽

10.1039/c4ra16384b ◽

2015 ◽

Vol 5 (22) ◽

pp. 16718-16722 ◽

Cited By ~ 4

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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Field emission properties of N-doped capped single-walled carbon nanotubes: A first-principles density-functional study

The Journal of Chemical Physics ◽

10.1063/1.2722750 ◽

2007 ◽

Vol 126 (16) ◽

pp. 164702 ◽

Cited By ~ 64

Author(s):

L. Qiao ◽

W. T. Zheng ◽

H. Xu ◽

L. Zhang ◽

Q. Jiang

Keyword(s):

Carbon Nanotubes ◽

Field Emission ◽

First Principles ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Functional Study ◽

Emission Properties ◽

Single Walled Carbon ◽

Field Emission Properties ◽

Walled Carbon Nanotubes

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Field Emission Properties of Vertically Aligned Carbon Nanotubes Driven by Polar and Non-Polar Gas Adsorption

MRS Proceedings ◽

10.1557/proc-706-z5.8.1 ◽

2001 ◽

Vol 706 ◽

Cited By ~ 1

Author(s):

Youngsik Song ◽

Brian Usner ◽

Jaewu Choi ◽

Seong-Chu Lim ◽

Young Hee Lee

Keyword(s):

Carbon Nanotubes ◽

Charge Transfer ◽

Field Emission ◽

Gas Adsorption ◽

Bias Effect ◽

Multiwalled Carbon ◽

Emission Properties ◽

Field Emission Properties ◽

Vertically Aligned ◽

A Charge

AbstractWe studied the gas adsorption effects on the field emission properties of vertically aligned multiwalled carbon nanotube films by exposing them to polar (H2O) and non-polar (N2O) gas molecules. The charge transfer between adsorbates and carbon nanotubes plays an important role in the field emission properties. With bias voltage ~ 1.2V/μm, the field emission properties of the carbon nanotubes are improved by exposing the nitrous oxide while the bias effect with water exposure is less significant. The improvement of the field emission properties by gas exposure is attributed not only to the change in the work function of the carbon nanotubes caused by a charge transfer, but also to the reactivity of the adsorbate gas with localized-cap states.

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