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5540 Ω.cm2 to 10967 Ω.cm2 and the intact coating provided a total resistance of 80254 Ω.cm2. The dispersion-corrected Density Functional Theory (DFT)-D explorations ascertained the inclusion capacity of benzimidazole inside the β-CD. The Monte Carlo/Molecular Dynamics (MC/MD) calculations strongly affirmed the adsorption of BM and β-CD-BM over the substrate.Template-assisted synthesis strategy is an effective approach to prepare high performance oxygen reduction catalyst. The Fe-N/C catalysts were prepared via high temperature pyrolysis of