Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO2
In the framework of the ab initio atomic thermodynamics, the preliminary analysis of the oxygen defectsin anatase TiO2 has been done by investigating the influence of the annealing treatment under representative conditions on three typical oxygen defects, that is, oxygen vacancy, oxygen adsorption a...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
| Published: |
Elsevier B.V.
2013
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/45335 |