| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382263 | Chemical Physics Letters | 2013 | 6 Pages |
Abstract
⺠The doping of Ti in surface step region can gain â¼0.36 eV higher doping energy. ⺠Activation energy is reduced to as low as 0.45 eV for aluminum hydrogenation. ⺠Ti doped in the lowest energy structure could remain as recycling active catalyst. ⺠H2 in intermediate state gains 0.3 e charge due to Kubas interaction mechanism.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mengmeng Zheng, Gang Chen,