Tuning the Hydrogen Bond Network Inside the Helmholtz Plane for Industrial Hydrogen Evolution

Abstract The role of the hydrogen bond network (HBN) within the Helmholtz plane (HP) in regulating the hydrogen evolution kinetics for catalyst development remains ambiguous owing to the lack of fundamental understanding. Herein, leveraging ab initio molecular dynamics simulations, it is discovered that introducing weak metal bonds in Ru/RuO 2 remarkably reshapes the HBN. Subsequently, Ru/RuO 2 nanosheets loaded with single Ga atoms (Ga SA ‐Ru/RuO 2 ) are successfully synthesized using a one‐step annealing strategy. In situ characterizations and theoretical calculations demonstrate that the atomic electric field generated by the weak Ru─Ga bonds can further improve the proportion of 4‐coordinated hydrogen‐bonded water and free water, thus ensuring the sufficient supply of reactants under high current density. Especially, the Ga SA ‐Ru/RuO 2 ‐based anion exchange membrane water electrolyzers (AEMWEs) require only 1.69 and 1.84 V to reach an industrial current density of 1,000 mA cm⁻ 2 in alkaline water and seawater conditions, respectively, and operate stably for 200 h. This study offers an atomic‐level perspective for designing highly efficient catalysts for alkaline hydrogen production.