Ionic conductivity of space charge layers in acceptor doped ceria |
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| Affiliation: | 1. TU Bergakademie Freiberg, Institute for Mechanics and Fluid Dynamics, 09596 Freiberg, Germany;2. TU Bergakademie Freiberg, Institute of Materials Engineering, 09596 Freiberg, Germany;3. TU Bergakademie Freiberg, Institute of Ceramic, Glass and Construction Materials, 09596 Freiberg, Germany;1. Faculty of Integrated Technologies, Universiti Brunei Darussalam, Gadong BE 1410, Brunei Darussalam;2. Center for Advanced Materials and Energy Studies, Universiti Brunei Darussalam, Gadong BE 1410, Brunei Darussalam;3. Department of Environmental Inorganic Chemistry, Chalmers University of Technology, SE 412 96, Göteborg, Sweden;1. School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510640, China;2. College of Physics and Materials Sciences, Tianjin Normal University, Tianjin, 300387, China;3. Science and Technology on Thermostructural Composite Materials Laboratory, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an, 710072, China;4. International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechical University, Xi’an, 710072, China;5. MSEA International Institute for Materials Genome, Gu’an 065500, Hebei, China;6. School of Mechanics and Engineering, Southwest Jiaotong University, Chengdu, Sichuan, 610031, China;7. Laboratoire de Mécanique et d’Energétique, Université d’Evry, Evry, 91020, France;1. College of Communication and Electron, Jiangxi Science and Technology Normal University, Nanchang, China;2. School of Nuclear Technology and Chemistry & Biology, Hubei University of Science and Technology, Xianning, China;3. State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, China |
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| Abstract: | The ionic conductivity of acceptor doped ceria is strongly influenced by grain boundaries and interfaces. Most experiments show a decrease in ionic conductivity and an increase in electronic conductivity in these regions. Classical models explain this observation by the formation of space charge layers that are depleted of mobile ionic charge carriers and enriched in small polarons. However, some experiments demonstrate an increase in ionic conductivity and recent models show that the space charge layers can also be enriched in mobile ionic species. Because of these contradictions, it is still not clear whether nanocrystalline or thin film ceria can offer superior ionic conductivity or not. To aid this debate, we calculate the ionic conductivity of yttrium doped ceria in regions of net charge density using kinetic Monte Carlo simulations. Through an appropriate choice of the charge densities, these calculations allow to demarcate the possible conductivity gains from space charge layers. |
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| Keywords: | Acceptor doped ceria Ionic conductivity Space charge layers Modelling Kinetic Monte Carlo |
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