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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 179-180Hydrogen Storage of Carbon Nanotubes: Theoretical...

Hydrogen Storage of Carbon Nanotubes: Theoretical Studies

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Abstract:

a self-consistent-charge density-functional tight-binding method was employed to study the electronic and atomic structures of full hydrogenation carbon nanotues (CNTs) which are relevant to hydrogen storage and device application. Intriguing trends of the geometrics, hydrogenation energy and energy gaps of full hydrogenation of carbon nanotubes as a function of the nanotubes diameter will also be described.

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Materials Science and Engineering

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Periodical:

Advanced Materials Research (Volumes 179-180)

Pages:

722-727

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.179-180.722

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Online since:

January 2011

Authors:

Yan Jin Wang, Lie Yan Wang, Shu Bo Wang, Ling Wu, Qing Ze Jiao

Keywords:

Biosensor, Carbon Nanotube (CN), Hydrogen Storage, Hydrogenation Energy

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