fig6
Figure 6. (A) the suggested reaction process for LOX-like activity, including the peroxidatic reaction of cis, cis-1,4-pentadiene moiety with Fe2N4O2 model (unit: Å). (B) Gibbs free energy profile of crucial intermediates and transition states during the LOX-like catalytic chain. Energy unit: eV. (C) pDOS for cis, cis-1,4-pentadiene moiety, Fe2 DAC structure, and their interaction configuration. The species adsorbed on Fe2 DAC was signed by asterisk (*). Reproduced with permission from Ref.[47] Copyright 2023, Springer Nature.
