An overview of thermotransport in fluorite-related ionic oxides
L Momenzadeh and S Grieshammer and IV Belova and GE Murch, ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2021).
In this overview, we summarize the phenomenon of thermotransport (the close coupling of mass transport and heat transport) in two fast ion conductors: yttria-doped zirconia and gadolinia-doped ceria. We focus on two recent molecular dynamics calculations using the Green-Kubo formalism. We show that the Onsager thermotransport cross coefficient (mass-heat coupling) is negative, meaning that oxygen ions would drift, in principle, to the hot side in a temperature gradient. Simulation results presented in this overview show reasonable agreement with available experimental data for thermal conductivity. Results of this study suggest that the coupling between mass and heat transport in oxygen ion electrolytes could have significant effect for practical applications.
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