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

Calculating Hydrogen Absorption on Single Wall Carbon Nanotubes with Different Radius Using the First Principle

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Abstract:

The controllable 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 and depend on radius of SWNTs. The binding energy decreases as the radius increase.

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Advanced Manufacturing Technology, ICMSE 2012

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Periodical:

Advanced Materials Research (Volumes 472-475)

Pages:

1465-1468

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.472-475.1465

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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 SWNTS, Hydrogen Storage

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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