Spin-State Engineering of Iron Phthalocyanine D-Orbitals via Atomic Fe-N₄ Coupling for Enhanced Oxygen Reduction Reaction.

ABSTRACT: Since the properties of electron transfer and orbital interactions in oxygen electrocatalysts are highly spin-dependent, reaction kinetics and thermodynamics are very sensitive to the spin configuration. However, understanding the spin-related origin of catalytic activity in heterogeneous molecular electrocatalysts still remains challenging. Herein, a molecular-atomic coupled catalyst is constructed by integrating iron phthalocyanine (FePc) molecules with Fe-N₄ atomic sites anchored on nitrogen-doped carbon nanotubes (FePc-Fe-NCNT). The strong electronic coupling between FePc and the Fe-N₄-containing carbon substrate triggers a transition of the Fe sites from a low-spin state to an intermediate-spin state. Additionally, the formation of σ* bonds between the electron-i

SUBMITTER: Lv Z 

PROVIDER: S-EPMC12499505 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature