High Polarity Doping of CoFe Layered Hydroxides: Bifunctional and Corrosion-Resistant Anion Exchange Membrane Seawater Electrolyzers

Abstract Green hydrogen production through seawater electrolysis is a promising strategy, although challenges such as sluggish oxygen evolution reaction (OER) kinetics and chlorine (Cl − ) corrosion hinder its practical applicability. A novel fluorine (F)-doped cobalt (Co) and iron (Fe) layered metal hydroxide (F-CoFe LMH-8) is developed as a robust bifunctional catalyst achieving 81.23 and 265.5 mV at 10 mA cm −2 for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), respectively. Theoretical and experimental studies demonstrate that the F-doping modulates the electronic structure, effectively tuning Fe sites toward a high-spin configuration that optimizes binding energies and induces a chlorophobic effect that repel corrosive (Cl − ) ions. Notably, the F-CoFe LMH-8( +|| −) bifunctional catalyst integrated anion exchange membrane water electrolyzer (AEMWE) exhibited outstanding performance for continuous H 2 production, achieves a current density of 1.2 A cm −2 in 1 M KOH, 1.02 A cm −2 in 1 M KOH + 0.5 M NaCl, and 1 A cm −2 in 1 M KOH in seawater at 2.3 V. Furthermore, a long short-term memory-based machine learning model was employed to forecast and predict the stability of F-CoFe LMH-8. This approach provides a comprehensive pathway for heuristic design of durable, chlorophobic, and advanced electrocatalyst for seawater-based AEMWE and large-scale hydrogen production.