| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1566888 | Journal of Nuclear Materials | 2011 | 6 Pages |
Abstract
⺠The stability of the equilibrium adsorption states is determined after the geometry optimization. ⺠The origin of the stable chemisorbed state is analyzed by the electronic structure and charge redistribution calculation. ⺠The dissociation energetics of H2 are investigated in details by the PES and CINEB calculation.
Related Topics
Physical Sciences and Engineering
Energy
Nuclear Energy and Engineering
Authors
Peng Zhang, Shuang-Xi Wang, Jian Zhao, Chao-Hui He, Ping Zhang,