Predicting point defect equilibria across oxide hetero-interfaces: model system of ZrO[subscript 2]/Cr[subscript 2]O[subscript 3]
We present a multi-scale approach to predict equilibrium defect concentrations across oxide/oxide hetero-interfaces. There are three factors that need to be taken into account simultaneously for computing defect redistribution around the hetero-interfaces: the variation of local bonding environment...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
Royal Society of Chemistry
2017
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| Online Access: | http://hdl.handle.net/1721.1/107888 https://orcid.org/0000-0003-1855-0708 https://orcid.org/0000-0001-8966-4169 https://orcid.org/0000-0002-2688-5666 |