| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7962245 | Computational Materials Science | 2012 | 6 Pages |
Abstract
⺠vdW-DF give a better description on the interactions between H2 molecules and Ca-graphene. ⺠H2 molecules are predicted to be weakly adsorbed (⩽100 meV/H2) by the Ca-decorated graphene using vdW-DF. ⺠The van der Waals interaction cannot be neglected in the studies of hydrogen storage materials.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
V. Wang, H. Mizuseki, H.P. He, G. Chen, S.L. Zhang, Y. Kawazoe,