Y doping of BaZrO3 may lead to optimum conditions for proton conduction at operating temperature of solid oxide fuel cells: a first principles study
First-principle calculations are performed to investigate Y substitutional defects at ground state and at 1000 K, for Ba- and Zr-rich chemical environments. In dependence on the Fermi level, at ground state singly positively charged Y may be potentially stable on Ba site ( ${{\rm{Y}}}_{Ba}^{1+}$ ) a...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2023-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/acd98e |