Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.2744479
Title: Hydrogen adsorption by tungsten carbide nanotube
Authors: Pan, H. 
Feng, Y.P. 
Lin, J.
Issue Date: 2007
Source: Pan, H., Feng, Y.P., Lin, J. (2007). Hydrogen adsorption by tungsten carbide nanotube. Applied Physics Letters 90 (22) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2744479
Abstract: First-principles calculations based on density functional theory were carried out to investigate single-wall tungsten carbide nanotubes and their applications to energy storage, such as hydrogen storage and fuel cell. The pristine tungsten carbide nanotube was metallic. The W atop site is the most stable adsorption site for hydrogen atom, with a binding energy of 3.94 eV and a binding distance of 1.7 Å. Hydrogen molecule also favors the W atop site energetically. The calculated binding energy and distance are 0.44 eV and 1.85 Å, respectively. The authors' studies demonstrate that the tungsten carbide nanotube could be a promising material for energy storage. © 2007 American Institute of Physics.
Source Title: Applied Physics Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/96846
ISSN: 00036951
DOI: 10.1063/1.2744479
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