Paper Title:
Density Functional Theory Study of Influence of Hydrogen Absorption on the Field Emission Properties of Carbon Nanotubes
  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.

  Info
Periodical
Advanced Materials Research (Volumes 306-307)
Chapter
Chapter 9: Nano Materials
Edited by
Shiquan Liu and Min Zuo
Pages
1166-1169
DOI
10.4028/www.scientific.net/AMR.306-307.1166
Citation
K. Sun, Z. Q. Fan, X. Y. Liu, "Density Functional Theory Study of Influence of Hydrogen Absorption on the Field Emission Properties of Carbon Nanotubes", Advanced Materials Research, Vols. 306-307, pp. 1166-1169, 2011
Online since
August 2011
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Daria S. Mikhailova, Vladimir V. Chesnokov, Dimitry V. Chesnokov
Abstract:The principle of measurement of spectrum absorptances nanolayers of the elementorganic compounds, based on use of the optical fibre measuring...
594
Authors: Xiao Ming Wang, Fei Wang, Xue Zeng Zhao, Da Lei Jing
Chapter 2: Micro / Nano Materials
Abstract:The modified static bending model of microcantilever with monolayer molecules has been established based on energy method, in which the...
455
Authors: Xiu Ying Liu, Wei Guo Sun, Zhi Qin Fan, Li Ying Zhang
Chapter 7: Hydrogen and Fuel Cell
Abstract:Grand Canonical Monte Carlo (GCMC) method is employed to simulate the adsorption of methane in several nanoporous zeolites. Adsorption...
1353
Authors: Ye Lu He, Ding Xing Liu, Yong Qu, Zhen Yao
Chapter 1: Technology of Materials and Chemistry
Abstract:The adsorption hydrogen molecule on intrinsic and Al-doped graphene was studied by density functional theory calculations. The results show...
61
Authors: Jian Xin Zhu, Da Wei Jin, Jian Zhang, Hong Liang Zhao
Chapter 3: Applied Materials Engineering
Abstract:NiTi shape memory alloy is considered to be the most important shape memory alloys for its salient superelasticity and shape memory...
387