Mechanistic insights into the origin of the oxygen migration barrier
Oxygen ion conductors require high temperatures to exhibit the high ion conductivity needed for practical use. In this work, we related oxygen vacancy formation energy and migration barrier to the electronic structure of perovskites using ab initio simulations. The vacancy formation energy increases...
| Main Authors: | , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
Royal Society of Chemistry
2024
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| Online Access: | https://hdl.handle.net/1721.1/156078 |