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Hydrogen Storage in Single-Walled and Multi-Walled Carbon Nanotubes

Published online by Cambridge University Press:  10 February 2011

Seung Mi Lee ,
Thomas Frauenheim ,
Marcus Elstner ,
Yong Gyoo Hwang  and
Young Hee Lee
Seung Mi Lee
Affiliation:
Department of Semiconductor Science and Technology, Jeonbuk National University, Jeonju 561-756, Korea
Thomas Frauenheim
Affiliation:
Universitaet-GH Paderborn, Fachbereich Physik, Theoretische Physik, 33095 Paderborn, Germany
Marcus Elstner
Affiliation:
Department of Physics, Harvard University, Cambridge, MA 02138
Yong Gyoo Hwang
Affiliation:
Deparment of Physics, Wonkwang University, Iksan 570-749, Korea
Young Hee Lee*
Affiliation:
Department of Semiconductor Science and Technology, Jeonbuk National University, Jeonju 561-756, Korea Department of Physics and Semiconductor Physics Research Center, Jeonbuk National University, Jeonju 561-756, Korea, leeyh@sprc2.chonbuk.ac.kr
*
*To whom correspondence should be addressed.
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Abstract

We performed density-functional calculations to search for adsorption sites and predict maximum hydrogen storage capacity in carbon nanotubes. Our calculations show that the storage capacity of hydrogen, limited by the repulsive forces between H2 molecules inside nanotubes, increases linearly with tube diameters in single-walled nanotubes, whereas this value is independent of tube diameters in multi-walled nanotubes. We predict that H storage capacity in (10,10) nanotubes can exceed 14 wt % (161 kg H2/m3).

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 593: Symposium U – Amorphous & Nanostructured Carbon , 1999 , 187
Copyright
Copyright © Materials Research Society 2000

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References

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