Identical Fe-N₄ Sites with Different Reactivity: Elucidating the Effect of Support Curvature.

ABSTRACT: Detailed atomic-scale understanding is a crucial prerequisite for rational design of next-generation single-atom catalysts (SACs). However, the sub-ångström precision needed for systematic studies is challenging to achieve on common SACs. Here, we present a two-dimensional (2D) metal-organic system featuring Fe-N₄ single-atom sites, where the metal-organic structure is modulated by 0.4 Å corrugation of an inert graphene/Ir(111) support. Using scanning tunneling microscopy and density functional theory, we show that the support corrugation significantly affects the reactivity of the system, as the sites above the support "valleys" bind TCNQ (tetracyanoquinodimethane) significantly stronger than the sites above the "hills". The experimental temperature stability of TCNQ varies by

SUBMITTER: Jakub Z 

PROVIDER: S-EPMC11826504 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature