Revealing the formation process of extra capacitance in Fe3O4/Li batteries with the first-principles study

The formation of extra capacitance in Fe3O4/Li batteries can be comprehended by utilizing the in situ magnetometry method. Nevertheless, the precise mechanism behind this phenomenon remains elusive. In this study, we adopt Li x O8/Fe to investigate the formation process of extra capacitance in Fe3O4/Li batteries from a microscopic and quantitative viewpoint. The Fe-0 atoms exhibit an enhanced capability to store extra charge during the Li16O8/Fe process, and has significantly contributes to the magnetization of the batteries. Furthermore, we provide an accurate description of the process from the storage of excess electrons to the formation of polymer films. The outcomes of our research could potentially facilitate better control over the generation of additional capacitance.