Titanium as a Potential Addition for High-Capacity Hydrogen Storage Medium
We study the adsorption of hydrogen molecules on a titanium atom supported by a benzene molecule using generalized gradient corrected Density Functional Theory (DFT). This simple system is found to bear important analogies with titanium adsorption sites in (8, 0) titanium-coated single-walled carbon...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2012-01-01
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| Series: | Journal of Nanotechnology |
| Online Access: | http://dx.doi.org/10.1155/2012/831872 |