Speaker
Description
Spinel-structured materials such as lithium cobalt oxide (LiCo₂O₄) and lithium manganese oxide (LiMn₂O₄) are promising cathode materials for lithium-ion batteries due to their good electrochemical performance, which is attributed to their three-dimensional lithium-ion diffusion pathways. However, these materials undergo high voltage and capacity decay during cycling. This is caused by disproportionation reactions and poorly coordinated structures, which, in turn, lead to battery fracture and pulverisation during charge and discharge, hindering their application. To alleviate these challenges, Nickel (Ni) doping and nanostructuring have emerged as an effective strategy to enhance the structural stability and the electrochemical performance of spinel-structured materials.
Herein, molecular dynamics simulation methods using the DL_POLY code are employed to investigate the structural changes of Ni-doped Li1+xM₂O₄ (M=Mn,Co) nanoporous materials during the discharge process. The nanoporous structures have evolved into single and multiple-grained structures during the amorphisation and recrystallisation processes. The pores of the materials disappear with the Ni-dopant during lithiation. Furthermore, the volume of the materials also increases with increasing Li content and Ni concentration. However, the materials retain their structural integrity upon full lithiation because the nanoporous morphology accommodates volume expansion during cycling. Therefore, Ni-doped nanoporous materials can potentially enhance the cycling performance of spinel-structured LiM2O4 cathodes for lithium-ion battery applications.
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