fig15

Structure-informed two-electron electrocatalysis for selective redox synthesis

Figure 15. (A) Atomic structure model of Fe-Ti4O7. (B) HRTEM image of Fe-Ti4O7, showing the Ti4O7 (120) lattice plane. (C) Gibbs free-energy diagram for the chlorine evolution reaction on Fe-Ti4O7 via Volmer-Tafel and Volmer-Heyrovsky mechanisms. (D) Theoretical overpotential of the chlorine evolution reaction on Fe-Ti4O7 in Volmer-Tafel and Volmer-Heyrovsky mechanisms. (A-D) is reprinted with permission from Ref.[215]. Copyright © 2024 Springer Nature. (E) Molecular model of TBABr3. (F) ELF of BrCl3. (G) Cohesive energy during the charging process for the systems with and without Cl-. (E-G) is reprinted with permission from Ref.[287]. Copyright © 2024 American Association for the Advancement of Science. (H) T-shaped Pt-N4 models used for density functional theory calculations. (I) HAADF-STEM image of Pt1(3)/CNT. (J) Free-energy profiles for the OER over Pt-N4 following the mononuclear pathway, involving the *OH, *O and *OOH intermediates. (H-J) is reprinted with permission from Ref.[288]. Copyright © 2023 Springer Nature. (K) Schematics of polyhedral distortion and Cl- adsorption modes for 3D Ce-Co3O4; the green balls represent Cl- ions. (L) HAADF-STEM image of 3D Ce-Co3O4. (M) Free-energy comparison for chlorine evolution over different Co3O4-based structures at U = 1.36 V. (N) Reaction-coordinate free-energy diagram comparing Cl adsorption and Cl2 formation on Ce-modified and unmodified Co sites. (K-N) is reprinted with permission from Ref.[214]. Copyright © 2026 Springer Nature.

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