biostudies-literatureZhang GChina Postdoctoral Science FoundationNational Natural Science Foundation of China (National Science Foundation of China)10845https://www.ebi.ac.uk/biostudies/studies/S-EPMC11686141biostudies-literatureUnknown15(1)Coordination complexes are promising candidates for powerful electrocatalytic oxygen evolution reaction but challenges remain in favoring the kinetics behaviors through local coordination regulation. Herein, by refining the synergy of carboxylate anions and multiconjugated benzimidazole ligands, we tailor a series of well-defined and stable coordination complexes with three-dimensional supramolecular/coordinated structures. The coordinated water as potential open coordination sites can directly become intermediates, while the metal center easily achieves re-coordination with water molecules in the pores to resist lattice oxygen dissolution. In situ experiments and theory simulations indicate that nickel centers with neighboring coordinated water molecules follow an intramolecular oxygen coNature communicationsIdentifying and tuning coordinated water molecules for efficient electrocatalytic water oxidation.PMC11686141223751612022M722587516731562022TQ0256Zhang GLi XZheng HGuo WWang JZhang QfalseIdentifying and tuning coordinated water molecules for efficient electrocatalytic water oxidation.Coordination complexes are promising candidates for powerful electrocatalytic oxygen evolution reaction but challenges remain in favoring the kinetics behaviors through local coordination regulation. Herein, by refining the synergy of carboxylate anions and multiconjugated benzimidazole ligands, we tailor a series of well-defined and stable coordination complexes with three-dimensional supramolecular/coordinated structures. The coordinated water as potential open coordination sites can directly become intermediates, while the metal center easily achieves re-coordination with water molecules in the pores to resist lattice oxygen dissolution. In situ experiments and theory simulations indicate that nickel centers with neighboring coordinated water molecules follow an intramolecular oxygen co2024-01-01T00:00:00Z2024 Dec2025-04-04T21:48:58.646Z2025-04-04T21:48:58.646ZS-EPMC116861413973803710.1038/s41467-024-55120-1