Bonding of H in O vacancies of ZnO
Journal Article
·
· Physical Review B
- ORNL
We investigate the bonding of H in O vacancies in ZnO using density functional calculations. We find that H is anionic and does not form multicenter bonds with Zn in this compound.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 931778
- Journal Information:
- Physical Review B, Vol. 75, Issue 24; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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