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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 472-475Simulation for Hydrogen Absorption on Single Wall...

Simulation for Hydrogen Absorption on Single Wall Carbon Nanotubes Using the First Principle

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Abstract:

The hydrogen storage on single wall carbon is studied by using the first principle based on density functional theory (DFT). It concludes that the adsorption of hydrogen on the bare distorted single carbon nanotubes (SWNTs) can be enhanced dramatically when the single wall carbon nanotubes are rotated along the tubs axis. On the other hand, it suggests that the hydrogen storage capacity of SWNTs depend on the deformation angles.

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Advanced Manufacturing Technology, ICMSE 2012

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Periodical:

Advanced Materials Research (Volumes 472-475)

Pages:

1787-1791

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.472-475.1787

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Online since:

February 2012

Authors:

A Qing Chen, Qing Yi Shao, Li Wang

Keywords:

Binding Energy, Density Function Theory (DFT), Distorted Single Wall Carbon Nanotubes, Hydrogen Storage

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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