{
  "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 ɳOER (0.68 V) preferentially adsorbs OH⁻ over Cl⁻ (-1.14 and -1.09 eV, respectively), promoting selective OER. The NiW@Fe-MOF (cathode) exhibits the most favorable ΔGH* (-1.64 eV) and suppresses Ca(OH)₂ and Mg(OH)₂ precipitation via WO₂-mediated OH⁻ consumption. Consequently, the NiW@Fe-MOF‖NiMoW@Fe-MOF enables selective inhibition of chlorine evolution and mitigation of scaling. The NiW@Fe-MOF‖NiMoW@Fe-MOF operates stably in alkaline seawater at 0.5 A cm⁻² for 500 h and delivers 1 A cm⁻² at 1.84 V, well below the 2.35 V required by a 20% Pt/C‖RuO₂ benchmark, demonstrating strong potential for direct seawater splitting.",
  "abstract_shown": true,
  "affiliations": [
    "School of Engineering, RMIT University, Melbourne, Victoria, Australia.",
    "Department of Physics, College of General Studies, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia.",
    "Interdisciplinary Research Center for Hydrogen Technologies and Carbon Management (IRC-HTCM), King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia.",
    "School of Sciences, RMIT University, Melbourne, Victoria, Australia.",
    "School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu, China."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 11,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Sofiu Mahmud"
    },
    {
      "affs": [
        1,
        2
      ],
      "name": "Hafiz Adil Qayyum",
      "orcid": "0000-0002-9063-9152"
    },
    {
      "affs": [
        3
      ],
      "name": "Sharafadeen Gbadamasi",
      "orcid": "0000-0002-8071-9247"
    },
    {
      "affs": [
        3
      ],
      "name": "Muhammad Waqas Khan",
      "orcid": "0000-0003-1104-3527"
    },
    {
      "affs": [
        3
      ],
      "name": "Suraj Loomba"
    },
    {
      "affs": [
        3
      ],
      "name": "Muhammad Haris"
    },
    {
      "affs": [
        3
      ],
      "name": "Chamali Malaarachchi"
    },
    {
      "affs": [
        0
      ],
      "name": "Seyed Mousavi"
    },
    {
      "affs": [
        3
      ],
      "name": "Babar Shabbir",
      "orcid": "0000-0002-8162-8013"
    },
    {
      "affs": [
        4
      ],
      "name": "Jian Xian",
      "orcid": "0000-0002-9955-1704"
    },
    {
      "affs": [
        0,
        3
      ],
      "name": "Nasir Mahmood",
      "orcid": "0000-0002-8340-1058"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/a0vdfkvv60560.bib",
  "cited_by": 0,
  "doi": "10.1002/cssc.71154",
  "fulltext_url": "https://europepmc.org/articles/PMC13681737",
  "id": "a0vdfkvv60560",
  "issns": [
    "1864-5631",
    "1864-564X"
  ],
  "landing_url": "https://europepmc.org/article/MED/42899500",
  "language": "eng",
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2105|Electrocatalysts for Energy Conversion"
    ]
  ],
  "openalex": "W7223027741",
  "pdf_url": "https://europepmc.org/articles/PMC13681737?pdf=render",
  "pmcid": "PMC13681737",
  "pmid": "42899500",
  "published": "2026-10-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/a0vdfkvv60560.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:19:37Z",
      "native_id": "MED:42899500",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42899500"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2105|Electrocatalysts for Energy Conversion",
      "subfield": "electrochemistry-energy"
    }
  ],
  "title": "Synergistic d-Orbital Interactions and Interfacial Coupling in Metal-Organic Framework-Based Electrocatalysts for Direct Seawater Electrolysis.",
  "title_text": "Synergistic d-Orbital Interactions and Interfacial Coupling in Metal-Organic Framework-Based Electrocatalysts for Direct Seawater Electrolysis.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:19:37Z",
  "url": "https://research.draconitic.com/paper/a0vdfkvv60560",
  "venue": "ChemSusChem",
  "versions": []
}