“…Recent studies have shown that the organic moieties of imidazolium and pyrrolidinium-based cations and counteranions such as OTf (CF 3 SO 3 ), AlCl 4 , PF 6 , and BF 4 of ILs are intercalated into the graphite anode and cathode, respectively, during the charging process. − These DIBs show the higher cutoff changing voltage of 4.0–5.0 V, due to the broad electrochemical window of ILs. However, there is limited research on DIBs using organic moieties of imidazolium (1-ethyl-3-methyl imidazolium and 2,3-dimethyl-1-propyl imidazolium) and pyrrolidinium-based ( N -butyl- N -methyl pyrrolidinium) cations in the graphite anode. , Exploring DIBs with other organic moieties-based cations, like morpholium, piperidinium, and thiazolium, is challenging both computationally and experimentally due to the complexities of the ion intercalation process and the sensitivity of ILs. The intercalation of ions into the graphite electrode follows a proper staging mechanism, making computational studies time-consuming and costly.…”