A DFT+U study on the contribution of 4f electrons to oxygen vacancy formation and migration in Ln-doped CeO2
Author:
Affiliation:
1. Department of Applied Physics
2. Graduate School of Engineering
3. Osaka University
4. Osaka
5. Japan
Abstract
The variable occupancy of empty 4f orbitals is important typically for early Ln elements to produce the covalent interactions that essentially affect the formation and migration of oxygen vacancy.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP00637J
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4. Ceria-based solid electrolytes
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