MoO₂-Mediated Ni─Fe Bond Contraction and Electronic Modulation in Ni₃Fe Alloy for Efficient Water Electrolysis at High-Current-Densities.

ABSTRACT: Ni₃Fe alloy electrocatalysts show promising activity for water electrolysis but are limited by sluggish hydrogen/oxygen evolution reaction (HER/OER) kinetics, and inefficient gas-liquid mass transfer under high-current-densities. Here, a superhydrophilic/superaerophobic 3D carbonized wood-loaded Ni₃Fe-MoO₂ (Ni₃Fe/MoO₂/CW) heterojunction is designed to address these challenges. X-ray absorption fine structure (XAFS) and theoretical calculations reveal that the introduction of MoO₂ shortens the Ni─Fe bond length, induces electron transfer from Ni₃Fe to MoO₂, and regulates the d-band center of Ni/Fe. These optimized Ni─Fe bonds and electronic structure enhance H─OH bond dissociation and H* adsorption/desor

SUBMITTER: Li L 

PROVIDER: S-EPMC12801374 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature