Tuning ionic conductivity in ceria by volume optimization
(English)Manuscript (preprint) (Other academic)
Effect of volume change on the ionic conductivity in ceria has been studied in the framework of the density functional theory. We show that properly controlling external conditions one can treat the lattice constant of ceria as an adjustable parameter and change the topology of the energy landscape for the oxygen ion diffusion. We reveal the existence of the narrow range of lattice parameters, which optimize the ionic conductivity in ceria.
IdentifiersURN: urn:nbn:se:liu:diva-78752OAI: oai:DiVA.org:liu-78752DiVA: diva2:535556