Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 36, Issue 21, Pages 13645-13656Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2011.08.015
Keywords
Carbon nanotubes; Chemisorption; Hydrogen; Desorption; Electric field; Compression
Categories
Funding
- Council of Scientific and Industrial Research (CSIR), India
- Grants-in-Aid for Scientific Research [23241027] Funding Source: KAKEN
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Based on first principles calculations, we suggest a new way to release chemisorbed hydrogen atoms from the single-walled carbon nanotubes. The transverse external electric field serves as the key source for this mechanism. As the electric field strength increases, there is a notable increase in the C-H bond lengths at the sharp highly curved sites of the carbon nanotube. The compression of the tube along the direction of electric field results in the release of hydrogen atoms from the sharp sites. The synergetic action of electric field and compression turns out the desorption process easier at favorable field strengths. This present investigation provides a new alternative way to release hydrogen atoms from the hydrogenated carbon nanotubes under the influence of external electric field that requires comparatively lower temperature suitable for hydrogen based fuel cells used in mobile applications. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
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