期刊
PHYSICS LETTERS A
卷 374, 期 40, 页码 4169-4173出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2010.08.031
关键词
Hydrogen; Dissociation; Oxygen vacancy; First-principles calculation
资金
- NSFC [10904004, 60776063]
We systematically study the dissociation of H-2 molecules on the beta-Ga2O3 (100)B surface, with the influences of surface oxygen vacancy being considered. After introducing the surface oxygen vacancy, the nearest topmost O(I) atom becomes very active, and hydrogen molecules become much easier to dissociate. (C) 2010 Elsevier B.V. All rights reserved.
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