Experimentelle Untersuchungen und thermodynamische Modellierung von LNMO Hoch-Volt-Spinell-Kathoden für LIBs

• Antragsteller: Dr. Dajian Li
• Fachliche Zuordnung: Thermodynamik und Kinetik sowie Eigenschaften der Phasen und Gefüge von Werkstoffen ; Herstellung und Eigenschaften von Funktionsmaterialien
• Förderung: Förderung von 2017 bis 2020
• Projektkennung: Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 326070248

• Erstellungsjahr: 2020

Zusammenfassung der Projektergebnisse

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.

Projektbezogene Publikationen (Auswahl)

• “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
  (Siehe online unter https://doi.org/10.1039/C8CP04205E)
• “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
  (Siehe online unter https://doi.org/10.1021/acs.chemmater.7b05068)
• “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
  (Siehe online unter https://doi.org/10.1016/j.pnsc.2019.05.007)
• “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
  (Siehe online unter https://doi.org/10.1007/978-3-662-58675-4_13)