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Investigation on Microstructure and Conductivity of ZEBRA Battery Cathode Tannaz Javadi Dr. Anthony Petric Dr. Gianluigi Botton MTLS 702 1 Contents: 1- Microstructure of the cathode 2- Thermodynamic modeling of ZEBRA cycling 3- Conductivity measurement of the liquid electrolyte with temperature. 4- Effect of adding additives on liquid electrolyte conductivity 2 Introduction: 1978 ZEBRA battery Anode (-): Na metal ZEolite Battery for Research in Africa Ni- Cu composite Current Collector Solid electrolyte: β“-Alumina (≥ 0.2 Ω -1cm-1 at 260 ˚C) Electrolyte Liquid electrolyte: NaAlCl4 (0.6 Ω -1cm-1 at 250 ˚C) Cathode (+): Transition metal chloride +ve Current Collector + Excess metal NaAlCl4 Liquid electrolyte FeCl2 2.35 V @ 250 ˚C (200- 300 ˚C) Na ions route NiCl2 NiCl2 2.58 V @ 300 ˚C (200- 400 ˚C) J.L . Sudworth, J. Pow. Sour., 100 (2001) NaCl + Ni Na Charged area 3 Reaction front Discharged area -ve Cell case Solid ceramic electrolyte Cycling reactions: Na = Na+ + e- Negative electrode NiCl2 + 2Na+ + 2 e- = Ni + 2NaCl Positive electrode The net reaction: Charge NiCl2 + 2Na 2NaCl + Ni Micron size Discharge Anhydrous NiCl2 and Na E = 2.58 V @ 300 ˚C Loading in discharged state 4 Experimental materials: Cell 1: charge=48.3 Ah at 325 ˚C, discharge= 40.8 Ah at 295 ˚C. Cell 3: charge=Similar to Cell1, discharge= 38 Ah at 295 ˚C. Cell 763: First 12 cycles similar to Cell 3, discharge= 26.2 Ah at 295 ˚C. Sample preparation: Vacuum Distillation: Heated up to 450˚C, under vacuum for 4 h. 1- The cathode-β” alumina interface 2- The cross section of the cathode from β”- alumina to current collector Current collector 2 15 β“-Al2O3 1 1 1 1 1 1 9 8 7 6 5 4 3 2 1 4 3 2 1 0 5 Charged cell SEM & FIB Images: Discharged cell D 1µ FIB cross section 10 µ A: NaCl, B: Ni, C: NaAlCl4 D: NiCl2 E: Na6FeCl8 D C E A 2µ B 6 Thermodynamic modeling Room temperature microstructure deviates from real phases present during operation at high temperature FactSage database are appropriate Examination of cell reaction during cycling for modeling ZEBRA chemistry Phase changes during cooling 7 Thermodynamic modeling charging Overcharge (L +NiCl2) Discharging Increase in solubility of NiCl2 in molten salt Ni grain growth Tannaz Javadi, Anthony Petric, J. Electrochem. Soc., V.158, Issue 6, p. A700-A704, (2011). 8 Incentive to improve electrolyte conductivity SEM micrographs show that there are Ni particles that are isolated. In these cases charge transfer may have problems C A B B 9 Conductivity measurement of NaAlCl4 Potentiostat and Frequency Analyzer Nyquist plot The U-shaped capillary Conductance cell design High cell constant The dip-type capillary design The non-capillary type Molten salts have relatively low resistivity Reactive nature of Sodium Chloroaluminate to moisture The U-shaped capillary High cell constant Volatile 10 Conductivity Cell Tungsten wire 11 Conductivity Cell Calibration Measuring cell constant using different concentration KCl at different temperatures Conductivity (K (Ω-1cm-1)) Concentration (Molarity) 18 ˚C 25 ˚C 1 0.09783 0.11134 0.1 0.011166 0.012856 0.01 0.0012205 0.0014087 R = Resistance (Ω) ρ = Resistivity (Ω.cm) ≈ 400 cm-1 l = length A = area 12 Results Conductivity of pure NaAlCl4 with temperature Electronic conductivity of pure NaAlCl4 with temperature Pure NaAlCl4 Conductivity (Ω-1cm-1) 0.0003 I (Amps) 0.00025 0.0002 0.00015 0.0001 5E-05 7E-19 0 0.05 0.1 0.15 0.2 -5E-05 T (˚C) E (Volts) 13 Results The conductivity of different percentage of NbCl5 in NaAlCl4 1.05 Conductivity (Ω-1cm-1) 0.95 0.85 Pure NaAlCl4 0.75 5(mol%)NbCl5 20(mol%)NbCl5 0.65 30(mol%)NbCl5 40(mol%)NbCl5 0.55 0.45 0.35 170 300 430 T (˚C) 14 Thermodynamic modeling; Possible phases at different Mole fraction Bi NbCl4 (S) NbCl3 (S) NbCl4 (S) Nb3Cl8 (S) log 10 (activity) NbCl5 + <a> Bi Alpha Bi (mol) 15 Results Electrical Conductivity with Temp. 1.2 Conductivity (Ω-1cm-1) 1.1 1 0.9 0.8 Pure NaAlCl4 0.7 30%NbCl5+0 mol Bi 0.6 30%NbCl5+0.2 mol Bi 30%NbCl5+0.5 mol Bi 0.5 0.4 0.3 140 190 240 290 340 T (˚C) 390 440 490 540 16 Electrical Possible phases atConductivity different Mole fraction Bi NaAlCl4+NbCl5+Bi (300 ˚C) Log 10 (activity) Electrical conductivity (Ω-1cm-1) Electrical conductivity (Ω-1cm-1) Results Results (Mole)Bi Bi (mole %) present at different concentrations Bi in the mixture at 300 ˚C and their EffectPhases of different concentrations of Bi added toof 30% NbCl 5 and NaAlCl4 mixtures at 300 ˚C. effect on conductivity 17 Results Electronic conductivity (300 ˚C) Conductivity (Ω-1cm-1) 0.038 0.53 0.572 0.57 0.50 Pure NaAlCl4 30%NbCl5+0.2 mole Bi 30%NbCl5+0.5 mole Bi 30%NbCl5+0.75 mole Bi 30%NbCl5+0.9 mole Bi 0.0003 0.9 mole Bi+ 30 % NbCl5 I (Amps) 0.00025 0.0002 0.75 mole Bi+30% NbCl5 0.00015 0.5 mole Bi+30%NbCl5 0.0001 0.00005 0.2 mole Bi+30%NbCl5 0 0 -0.00005 0.05 0.1 0.15 0.2 Pure NaAlCl4 E (volts) -0.0001 The I-E curve for different mixtures of NbCl5 + Bi +NaAlCl4. The scan rate is 1 mV/s and the range of voltage is 0-0.2V vs. Reference. 18 Summery 1- Thermodynamic modelling predicts the presence of different phases at operating temperature and confirmed the SEM results. 2- SEM micrographs from ZEBRA cell cathode reveal the existence of isolated Ni particles that may not contribute to the cycling reaction as they are all surrounded by merely ionic conductors. 3- A special conductivity cell with high cell constant was designed to measure the conductivity of hygroscopic and volatile NaAlCl4. 4- The effect of different additives on conductivity of the liquid electrolyte was examined by using EIS. 5- Among different additives, 30 % NbCl5 + 0.2 mole Bi shows the best conductivity. 6- The conductivity of the liquid electrolyte approximately doubles between 190 and 490 ˚C. 7- The electronic conductivity of the mixtures were measured by using DC technique. Results show the presence of electronic conductivity in electrolyte by adding dopants. 19 Acknowledgement • • • • • • Dr. Anthony Petric Dr. Gianluigi Botton Dr. Gary Purdy Dr. Gu Xu CCEM staff Jim Garrett 20 Thank you 21