Experimental Investigation and Thermodynamic Modeling of LNMO High Voltage Spinel Cathode for the LIBs

Final Report Abstract

LMO and LNMO spinel were modeled using CALPHAD technique and critically described their crystal structure. Multi voltage plateaus without phase transformation during their battery applications has been firstly demonstrated by modelling work. - Enthalpy of formation for spinel doped with different elements (Co, Cr, Ni, Fe) were obtained by combining calorimetry measurements and ab initio calculations. - The effect of Cu doping to the spinel cathodes were experimentally studied. We found addition of Cu can actually decrease Li diffusion inside spinel cathodes. - It is possible to use delithiated spinel as cathode for SIBs. Delithiated LMO show very low stability when applied in SIBs. However, with doping elements, the stability can be greatly improved. This opens a new direction for developing advanced cathode materials for SIBs.

Publications

• “Heat capacities and updated thermodynamic model for the Li-Sn system”, Physical Chemistry Chemical Physics, 20 (2018) 22856-22866
  R. Thomas, D. Li, D. M. Cupid
  
• “High-throughput description of infinite composition–structure–property–performance relationships of lithium–manganese oxide spinel cathodes”, Chemistry of Materials, 30 (2018) 2287-2298
  W. Zhang, D. M. Cupid, P. Gotcu, K. Chang, D. Li, Y. Du and H. J. Seifert
  
• “Development and application of phase diagrams for Li-ion batteries using CALPHAD approach ”, Progress in Natural Science: Materials International, 29 (2019) 265-276
  N. Li, D. Li, W. Zhang, K. Chang, F. Dang, Y. Du, H.J. Seifert
  
• “Operating Voltage of Li-Ion Batteries on the Basis of Phase Diagram and Thermodynamics”, in: Q. Zhen, S. Bashir, J.L. Liu (Eds.) Nanostructured Materials for Next-Generation Energy Storage and Conversion: Advanced Battery and Supercapacitors, Springer Berlin Heidelberg, Berlin, Heidelberg, 2019, pp. 445-464
  D. Li, W.Zhang, S.-M. Liang