Year: 2007
Type: article
Abstract: We investigate the bonding of H in O vacancies of ZnO using density functional calculations. We find that H is anionic and does not form multicenter bonds with Zn in this compound.
Source: Physical Review B
Authors: H. Takenaka, D. J. Singh
Institution: Oak Ridge National Laboratory
Language: English
Topic: ZnO doping and properties
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2963219475