Impact of annealed-Ti3C2Tz-MXene-based anode on thermal runaway propagation in lithium-ion batteries: A comparative and numerical study

Extensive utilization of lithium-ion batteries due to their high energy density and portable features necessitates urgent solutions to potential safety issues associated with thermal runaway (TR). In this work, a 3D mathematical model based on COMSOL Multiphysics coupling side reactions and complex heat transfer in a 3 x 3 battery pack was developed to investigate TR propagation process and the effect of a new anode material, annealed Ti3C2Tz MXene. Reliability of the model was first verified by simulating experimental temperature evaluation of a traditional graphite-anode-based battery. Then a series of simulation scenarios using annealed-Ti3C2Tz-MXene-based anodes were studied to reveal the impact of modified anode on TR propagation. Up to 22 TR propagation scenarios with varying spacings (0-2 mm) among batteries, heating powers (100-400 W), and SOCs (state of charge, 25%-100%) were examined. The results showed that TR of modified cell was delayed, implying better performance in preventing TR. The modified battery not only reduced the maximum temperature and temper-ature rising rate of TR, but also significantly inhibited TR propagation in pack. This study provides a theoretical basis for annealed Ti3C2Tz MXene as a new anode material and suggests an alternative way for designing safer and higher energy density LIBs.