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DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria
We perform density functional calculations using the program WIEN2K in order to study oxygen vacancies in rare earth doped ceria. The calculation for all rare earth elements were prepared, however only those foe Cadmium and Europium were performed due to lack of time. Also a short description of my...
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| Lenguaje: | eng |
| Publicado: |
2014
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| Acceso en línea: | http://cds.cern.ch/record/1752600 |