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

Abstract

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 × 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 temperature 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.