| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561517 | Computational Materials Science | 2012 | 6 Pages |
Abstract
⺠The order of the three families in the gap is altered by different hydrogenations. ⺠The band structures and gaps of (n) H:H, (n + 1) H:H2 and (n + 2) H2:H2 ZGNRs are similar. ⺠It arises from the dihydrogenation-induced decrease of the effective ribbon width. ⺠The formation energy also shows distinct family behaviors.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
X.H. Zheng, L.F. Huang, X.L. Wang, J. Lan, Z. Zeng,