Structural Disorder in Doped Zirconias, Part II: Vacancy Ordering Effects and the Conductivity Maximum.
Polarizable interaction potentials, parametrized using ab initio electronic structure calculations, have been used in molecular dynamics simulations to study the conduction mechanism in doped zirconias. The influence of vacancy-vacancy and vacancy-cation interactions on the conductivity of these mat...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2011
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