Phosphorus Regulates Coordination Number and Electronegativity of Cobalt Atomic Sites Triggering Efficient Photocatalytic Water Splitting.

ABSTRACT: Optimizing the local electronic structure of a single-atom catalyst (SAC) is crucial for efficient photocatalytic hydrogen evolution reactions. This study synthesized a Co-P₄/g-C₃N₄ heterostructure by selective phosphidation of the Co metal-organic framework/graphitic carbon nitride (Co-MOF/g-C₃N₄), converting the Co-O₆ configuration into a highly electronegative, coordinatively unsaturated Co-P₄ configuration anchored to a carbon matrix. P-doping induces strong charge redistribution, shifting the d-band center toward the Fermi level, transforming the Co sites from an electron-deficient state to an electron-rich state, and resulting in a significant reduction in the free energy barrier for HER to -0.08 eV.

SUBMITTER: Zhao Y 

PROVIDER: S-EPMC11660231 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature