fig5

Figure 5. (A and B) The calculated energy diagrams for (A) EHDC of CHCl₃ to CH₄, and (B) HER on Fe−N₄−C SACs and Fe₃O₄ (311); (C and D) The work functions of (C) Fe−N₄−C SACs and (D) Fe₃O₄ (311); (E and F) The density of states of (E) Fe−N₄−C SACs and (F) Fe₃O₄ (311); (G and H) The charge density difference mappings of (G) Fe−N₄−C SACs and (H) Fe₃O₄ (311). Data plotting and fitting were performed using Origin 2022. Crystal structure visualization was performed using VESTA. EHDC: Electrochemical hydrodechlorination; HER: hydrogen evolution reaction; SACs: single-atom catalysts; VESTA: Visualization for Electronic and Structural Analysis.