Revealing the impact of CO2 exposure during calcination on the physicochemical and electrochemical properties of LiNi0.8Co0.1Mn0.1O2

Abstract

The synthesis atmosphere plays a fundamental role in determining the physicochemical properties and electrochemical performance of NMC811 cathode materials used in lithium-ion batteries. This study investigates the effect of carbonate impurities generated during synthesis by comparing three distinct samples: NMC811 calcined in ambient air, NMC811 calcined in synthetic air to mitigate carbonate formation, and NMC811 initially calcined in ambient air followed by annealing in synthetic air to eliminate carbonate species. Physicochemical characterization through XRD, SEM, FTIR, and TGA techniques revealed noticeable differences in the structural and chemical properties among the samples. Electrochemical assessments conducted via coin-cell testing demonstrate superior performance for materials synthesized in synthetic air, exhibiting an enhanced discharge capacity of 145.4 ± 4.8 mA h g⁻¹ compared to materials synthesized in normal air (109.4 ± 4.3 mA h g⁻¹) at C/10. More importantly, sample annealing in synthetic air after air calcination partially recovers the electrochemical performance of the cathode (142.1 ± 4.6 mA h g⁻¹ at C/10) and this is related to the elimination of carbonate species from the ceramic powder. These findings highlight the importance of controlling synthesis conditions, particularly the atmosphere, to tailor the properties of NMC811 cathode materials for optimal lithium-ion battery performance.