Boosting Nitrogen Reduction to Ammonia on FeN₄ Sites by Atomic Spin Regulation.

ABSTRACT: Understanding the relationship between the electronic state of active sites and N₂ reduction reaction (NRR) performance is essential to explore efficient electrocatalysts. Herein, atomically dispersed Fe and Mo sites are designed and achieved in the form of well-defined FeN₄ and MoN₄ coordination in polyphthalocyanine (PPc) organic framework to investigate the influence of the spin state of FeN₄ on NRR behavior. The neighboring MoN₄ can regulate the spin state of Fe center in FeN₄ from high-spin (d_xy ² d_yz ¹ d_xz ¹ dz2 ¹ dx2-y2 ¹ ) to medium-spin (d_xy ² d_yz ² d_xz ¹ dz2

SUBMITTER: Wang Y 

PROVIDER: S-EPMC8529464 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature