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| Hauptseite > Publikationsdatenbank > Thermodynamic modelling of NASICON sub-system ZrO2-SiO2-P2O5 |
| Hauptseite > Publikationsdatenbank > Thermodynamic modelling of NASICON sub-system ZrO2-SiO2-P2O5 |
| Conference Presentation (After Call) | FZJ-2022-02818 |
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2022
Abstract: Solid state electrolytes are the key for improving the safety and practicability of batteries. NASICON (Na Super Ionic Conductor) is proposed as replacement for β″-Al2O3, as it has excellent structural strength and conductivity due to its structure wherein Na migrates in 3D voids providing ionic conductivity of 0.2 S·cm-1 (300 °C). Processing temperature is relatively low (~700 °C), high Na abundance makes it cheaper than Li-ion batteries.The NASICON phase with formula Na1+xZr2SixP3-xO12 [0≤x≤3] is part of the complex Na2O-SiO2-P2O5-ZrO2 system which is found to be conductive. For successful material design, thermodynamic properties (phase equilibria, heat capacity, stability, etc.) for all sub¬systems must be known, and for prediction of properties, a reliable and consistent database is cardinal. To achieve this, a thermodynamic database of the quaternary oxide system including the NASICON phase is being developed using CALPHAD method.As part of this development, the binary systems ZrO2-P2O5 and ZrO2-SiO2 were studied which are later employed to envision the ternary ZrO2-SiO2-P2O5 system. All the available data from literature was critically analyzed and employed for modelling. Modified associate species model was used to describe the liquid phase. The phase equilibria predicted by the new datasets are in excellent agreement with the experimental data. Preliminary calculation of the ternary system was performed by extrapolation of the binaries, and the subsolidus equilibria matches to the experimental data.
Keyword(s): Energy (1st)
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