An overview of thermotransport in fluorite-related ionic oxides
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Leila Momenzadeh
Abstract
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.
Funding source: Australian Research Council
Award Identifier / Grant number: DP170101812
Award Identifier / Grant number: DP200101969
Acknowledgements
SG gratefully acknowledges the computing time granted by the JARA-HPC Vergabegremium and provided on the JARA-HPC partition part of the supercomputer CLAIX at RWTH Aachen University; as well as computing resources granted by RWTH Aachen University under project rwth0557.
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Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: LM, IVB and GEM gratefully acknowledge support by the Australian Research Council (Discovery Project Grants Scheme DP170101812 and DP200101969).
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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© 2021 Walter de Gruyter GmbH, Berlin/Boston
Artikel in diesem Heft
- Frontmatter
- Preface
- Special issue on the occasion of the 75th birthday of Paul Heitjans
- Contribution to Special Issue dedicated to Paul Heitjans
- Unusual cation coordination in nanostructured mullites
- A novel high entropy spinel-type aluminate MAl2O4 (M = Zn, Mg, Cu, Co) and its lithiated oxyfluoride and oxychloride derivatives prepared by one-step mechanosynthesis
- Two new quaternary copper bismuth sulfide halides: CuBi2S3Cl and CuBi2S3Br as candidates for copper ion conductivity
- Sintering behavior and ionic conductivity of Li1.5Al0.5Ti1.5(PO4)3 synthesized with different precursors
- Status and progress of ion-implanted βNMR at TRIUMF
- How Li diffusion in spinel Li[Ni1/2Mn3/2]O4 is seen with μ ±SR
- Nuclear magnetic resonance (NMR) studies of sintering effects on the lithium ion dynamics in Li1.5Al0.5Ti1.5(PO4)3
- Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies
- Site preferences and ion dynamics in lithium chalcohalide solid solutions with argyrodite structure: I. A multinuclear solid state NMR study of the system Li6PS5-xSexI and of Li6AsS5I
- Site preferences and ion dynamics in lithium chalcohalide solid solutions with argyrodite structure: II. Multinuclear solid state NMR of the systems Li6PS5−x Se x Cl and Li6PS5−x Se x Br
- Independent component analysis combined with Laplace inversion of spectrally resolved spin-alignment echo/T 1 3D 7Li NMR of superionic Li10GeP2S12
- How the cation size impacts on the relaxational and diffusional dynamics of supercooled butylammonium-based ionic liquids: DPEBA–TFSI versus BTMA–TFSI
- Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica
- Inorganic-organic hybrid materials based on the intercalation of radical cations: 2-(4-N-methylpyridinium)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl-3-N-oxide in fluoromica clay
- Lithium tracer diffusion in near stoichiometric LiNi0.5Mn1.5O4 cathode material for lithium-ion batteries
- On the CaF2-BaF2 interface
- The ionic conductivity of alkali aluminum germanium phosphate glasses – comparison of Plasma CAIT with two electrode DC measurements
- Thin-film chemical expansion of ceria based solid solutions: laser vibrometry study
- Predicting conductivities of alkali borophosphate glasses based on site energy distributions derived from network former unit concentrations
- Ionic transport in K2Ti6O13
- F anion transport in nanocrystalline SmF3 and in mechanosynthesized, vacancy-rich Sm1—x BaxF3—x
- An overview of thermotransport in fluorite-related ionic oxides
Artikel in diesem Heft
- Frontmatter
- Preface
- Special issue on the occasion of the 75th birthday of Paul Heitjans
- Contribution to Special Issue dedicated to Paul Heitjans
- Unusual cation coordination in nanostructured mullites
- A novel high entropy spinel-type aluminate MAl2O4 (M = Zn, Mg, Cu, Co) and its lithiated oxyfluoride and oxychloride derivatives prepared by one-step mechanosynthesis
- Two new quaternary copper bismuth sulfide halides: CuBi2S3Cl and CuBi2S3Br as candidates for copper ion conductivity
- Sintering behavior and ionic conductivity of Li1.5Al0.5Ti1.5(PO4)3 synthesized with different precursors
- Status and progress of ion-implanted βNMR at TRIUMF
- How Li diffusion in spinel Li[Ni1/2Mn3/2]O4 is seen with μ ±SR
- Nuclear magnetic resonance (NMR) studies of sintering effects on the lithium ion dynamics in Li1.5Al0.5Ti1.5(PO4)3
- Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies
- Site preferences and ion dynamics in lithium chalcohalide solid solutions with argyrodite structure: I. A multinuclear solid state NMR study of the system Li6PS5-xSexI and of Li6AsS5I
- Site preferences and ion dynamics in lithium chalcohalide solid solutions with argyrodite structure: II. Multinuclear solid state NMR of the systems Li6PS5−x Se x Cl and Li6PS5−x Se x Br
- Independent component analysis combined with Laplace inversion of spectrally resolved spin-alignment echo/T 1 3D 7Li NMR of superionic Li10GeP2S12
- How the cation size impacts on the relaxational and diffusional dynamics of supercooled butylammonium-based ionic liquids: DPEBA–TFSI versus BTMA–TFSI
- Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica
- Inorganic-organic hybrid materials based on the intercalation of radical cations: 2-(4-N-methylpyridinium)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl-3-N-oxide in fluoromica clay
- Lithium tracer diffusion in near stoichiometric LiNi0.5Mn1.5O4 cathode material for lithium-ion batteries
- On the CaF2-BaF2 interface
- The ionic conductivity of alkali aluminum germanium phosphate glasses – comparison of Plasma CAIT with two electrode DC measurements
- Thin-film chemical expansion of ceria based solid solutions: laser vibrometry study
- Predicting conductivities of alkali borophosphate glasses based on site energy distributions derived from network former unit concentrations
- Ionic transport in K2Ti6O13
- F anion transport in nanocrystalline SmF3 and in mechanosynthesized, vacancy-rich Sm1—x BaxF3—x
- An overview of thermotransport in fluorite-related ionic oxides
