Steering intermediates coverage of W-doped Fe₃N for efficient kinetic promotion in water splitting by lattice and electronic configuration engineering

The development of catalysts that promote kinetic processes represents a significant frontier in the field of catalyst design. Here, a facile strategy is employed to fabricate W-Fe₃N@NC. The incorporation of W results in effective lattice and electronic configuration engineering, providing a favorable environment for the in-situ formation of high-valent Fe⁴⁺ and the lattice contraction. The kinetics of the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are fully improved by steering the intermediate coverages and binding energies. W-Fe₃N@NC exhibits superior HER performance at universal pH range and a significantly enhanced alkaline OER performance. Density functional theory (DFT) analysis verifies the lattice and electronic engineering and indicates that the higher valence state and weakened adsorption of the intermediates boost the activity of OER and HER. This study offers new insights into effective electrocatalyst design through lattice and electronic engineering, and provides a basis for further exploration of the kinetic promotion mechanism of catalysts.