| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380990 | Chemical Physics Letters | 2014 | 4 Pages |
Abstract
- Hydrogen storage process of Li-doped graphene considering H2 and O2 coadsorption has been discussed.
- Both the morphological transformation and the adsorption energy have been analyzed in detail.
- Li-doped graphene can adsorb 3 H2 per unit under the coadsorption condition.
- The overlap among O2 5Ï, 1Ï orbital, Li 2s orbital and the H2 Ï bonding contribute to the Ead(H2) under the coadsorption condition.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Teng Zhang, Cuicui Ling, Qingzhong Xue, Tiantian Wu,