ArticleChemSusChem2026
Synergistic d-Orbital Interactions and Interfacial Coupling in Metal-Organic Framework-Based Electrocatalysts for Direct Seawater Electrolysis.
Article in ChemSusChem, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The structural versatility of metal-organic frameworks (MOFs) makes them attractive platforms for electrocatalyst design, but with limited active site density. Here, Fe-MOF is decorated with Ni-, Mo-, and W-based oxides via electrochemical deposition, avoiding high-temperature carbonization. The short interlayer distances (1.88-2.67 Å) and more negative binding energies (-4.09 to -4.88 eV) indicate intimate interfacial contact and strong adhesion between the deposited metal oxides and the Fe-MOF. Synergistic interactions between Ni 3d and Mo/W non‑3d orbitals modulate electronic structure and optimize adsorption of reaction intermediates. Electron localization values <0.5 and charge density difference analysis reveal substantial electron redistribution and interfacial charge transfer. DFT studies show that NiMoW@Fe-MOF with the lowest ɳ
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