ORALS

SESSION: GeochemistryTuePM1-R8	Navrotsky International Symposium (2nd Intl. Symp. on Geochemistry for Sustainable Development)
Tue. 28 Nov. 2023 / Room: Coral Reef
Session Chairs: Megan Householder; Zi-Kui Liu; Session Monitor: TBA

14:55: [GeochemistryTuePM107] OS
LITHIUM-ION BATTERIES AND THEIR MATERIALS STUDIED BY CALORIMETRY AND COMPUTATIONAL THERMODYNAMICS
Hans Juergen Seifert¹ ; Julian Gebauer² ; Peter Franke² ; Philipp Finster² ; Carlos Ziebert² ; Magnus Rohde² ; ¹Karlsruhe Inst. of Technology, 76344 Eggenstein-Leopoldshafen, Germany; ²Karlsruhe Institute of Technology, KIT, 76344 Eggenstein-Leopoldshafen, Germany;
Paper Id: 237 [Abstract]

Layered oxides NMC (LiNixMnyCozO2), high voltage LMO spinels (Li(M,Mn)2O4) and LMFP olivines (LiMFePO4) are commercially relevant cathode materials for lithium-ion battery design. To investigate their electrochemical thermodynamics we combine various types of calorimetry (DSC, Tian Calvet, Accelerating Rate Calorimetry, ARC) and electrochemical cell analyses with thermal and safety studies, respectively. Additionally, we use computational thermodynamics (CALPHAD approach) for modeling phase stabilities and electrochemical behavior as well as for calculation of related phase diagrams. We prepared samples of the NMC- and LMO-base compositional solid solution series by sol-gel methods and high-temperature calcination in air. High temperature drop solution calorimetry was suitable for determining the enthalpies of formation of all solid solution members. Systematic information on phase stabilities could be provided. Electrochemical investigations of half and full cells involved galvanostatic coulometry (with potential limitations), galvanostatic intermittent titration techniques (GITT), cyclic voltammetry (CV) as well as rate capability and cyclability tests. The presented work focuses on the investigation of such properties to provide quantitative data for better understanding the performances of lithium-ion batteries during their regular use and abuse, respectively, and in case of accidents. Such data are crucial input for the design of batteries thermal management systems. Accelerating Rate Calorimetry (ARC) is applied to quantitatively measure both the non-critical thermal characteristics and thermal runaway behavior of self-made and commercial coin cells, cylindrical cells and pouch cells, respectively. ARC provides quasi-adiabatic test conditions and enables precise temperature, and temperature rate measurements. Critical temperatures and heat effects for various abuse conditions have been studied and compared for different cell type materials as mentioned before. 

References:
[1] W. Zhao, M. Rohde, I.UI. Mohsin, C. Ziebert, Y. Du, H.J. Seifert, Batteries 6(4) (2020) 55.
[2] W. Zhao, M. Rohde, I.UI. Mohsin, Y. Du, H.J. Seifert, Batteries 8(2) (2022) 15.
[3] M. Masoumi, D.M. Cupid, T.L. Reichmann, K. Chang, D. Music, J.M. Schneider, H.J. Seifert, Int. J. Mater. Res. 108 (2017) 869.