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000908762 037__ $$aFZJ-2022-02818
000908762 041__ $$aEnglish
000908762 1001_ $$0P:(DE-Juel1)180139$$aGonde, Shivani$$b0$$eCorresponding author$$ufzj
000908762 1112_ $$aCALPHAD XLIX$$cStockholm$$d2022-05-22 - 2022-05-27$$wSweden
000908762 245__ $$aThermodynamic modelling of NASICON sub-system ZrO2-SiO2-P2O5
000908762 260__ $$c2022
000908762 3367_ $$033$$2EndNote$$aConference Paper
000908762 3367_ $$2DataCite$$aOther
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000908762 3367_ $$0PUB:(DE-HGF)6$$2PUB:(DE-HGF)$$aConference Presentation$$bconf$$mconf$$s1714575726_3947$$xAfter Call
000908762 520__ $$aSolid 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.
000908762 536__ $$0G:(DE-HGF)POF4-1223$$a1223 - Batteries in Application (POF4-122)$$cPOF4-122$$fPOF IV$$x0
000908762 65017 $$0V:(DE-MLZ)GC-110$$2V:(DE-HGF)$$aEnergy$$x0
000908762 7001_ $$0P:(DE-Juel1)129813$$aYazhenskikh, Elena$$b1$$ufzj
000908762 7001_ $$0P:(DE-Juel1)129765$$aMüller, Michael$$b2$$ufzj
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