| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379348 | Chemical Physics Letters | 2016 | 5 Pages |
Abstract
The hydrogen adsorption capacity on a kind of torus-type C120, and the changes of adsorption influenced by nonmetal and metal have been systematically investigated through multiscale theoretical approach. It is found that the accumulated fields of hydrogen molecules are changed by nonmetal (N and O) or metal (Li) in torus-type C120, torus-type C120 modified by Li can evidently enhance the hydrogen storage capacity, the most gravimetric density is predicted to be 7.21Â wt% for the 8Li-C120 in 77Â K and 1200Â kPa.
Related Topics
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Physical and Theoretical Chemistry
Authors
Caihua Zhou, Ning Ma, Guang Fan, Zhanying Ma,