| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561156 | Computational Materials Science | 2013 | 11 Pages |
Abstract
⺠PBE + U provides binding characteristics of O on Co3O4 surfaces similar to HSE06. ⺠Bridge Co-Co sites bind O stronger than top Co sites. ⺠The O binding energy and O surface recombination is surface dependent. ⺠A weakly bound lattice oxygen on the (1 0 0) surface is identified.
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Authors
Kambiz Shojaee, Alejandro Montoya, Brian S. Haynes,