{
  "abstract": "Rutile iridium dioxide (IrO2) is renowned as an effective catalyst for the oxygen evolution reaction (OER), yet how its atomic structure governs orientation‐dependent activity remains unclear. Here, we investigate epitaxial rutile IrO2 thin films with crystallographically well‐defined (110), (101), and (001) orientations and show that their OER activity follows the order: (110) > (101) > (001). Atomic‐resolution scanning transmission electron microscopy (STEM) analysis identifies distinct surface terminations and Ir‐O coordination motifs that differ from commonly assumed idealized surface models. Experimentally informed electronic‐structure calculations reveal that the (110) and (101) surfaces exhibit enhanced O 2p states near the Fermi level, favoring oxygen‐involved charge transfer, whereas the (001) surface shows a more Ir‐centered electronic character. Reaction‐barrier calculations further indicate an energetic preference for the quadruple oxygen coupling mechanism (QOCM) on the (110) and (101) surfaces, whereas the (001) surface is more consistent with an Ir‐centered adsorbate evolution mechanism (AEM)‐like pathway. These results establish surface coordination as a key descriptor linking atomic termination, electronic structure, reaction pathway, and OER activity, providing a basis for designing high‐performance IrO2 catalysts through surface‐structure engineering.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Materials Science and Engineering Pohang University of Science and Technology (POSTECH) Pohang Republic of Korea",
    "Analysis Science & Engineering Team Samsung Electronics Hwaseong Republic of Korea",
    "Department of Physics Inha University Incheon Republic of Korea",
    "Department of Physics Pusan National University Busan Republic of Korea",
    "Department of Materials Science and Engineering University of Wisconsin‐Madison Madison USA",
    "Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology (KAIST) Daejeon Republic of Korea",
    "Department of Physics Pohang University of Science and Technology (POSTECH) Pohang Republic of Korea",
    "Department of Chemistry Pohang University of Science and Technology (POSTECH) Pohang Republic of Korea",
    "Physics Research Institute Inha University Incheon Republic of Korea",
    "Center for Van der Waals Quantum Solids Institute for Basic Science (IBS) Pohang Republic of Korea",
    "Department of Semiconductor Engineering Pohang University of Science and Technology (POSTECH) Pohang Republic of Korea"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 17,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Gahee Noh",
      "orcid": "0000-0001-7714-7711"
    },
    {
      "affs": [
        0
      ],
      "name": "Seong‐Sik Kim",
      "orcid": "0009-0004-6637-749X"
    },
    {
      "affs": [
        2
      ],
      "name": "Hyungwoo Lee"
    },
    {
      "affs": [
        3
      ],
      "name": "Jaejin Hwang",
      "orcid": "0000-0003-4183-7651"
    },
    {
      "affs": [
        4
      ],
      "name": "Michael Patton"
    },
    {
      "affs": [
        4
      ],
      "name": "Owen Ericksen"
    },
    {
      "affs": [
        5
      ],
      "name": "Tae Gyu Yun",
      "orcid": "0000-0002-6335-2893"
    },
    {
      "affs": [
        0
      ],
      "name": "Seung‐Hyun Heo",
      "orcid": "0009-0007-7681-064X"
    },
    {
      "affs": [
        6
      ],
      "name": "Suho Lee"
    },
    {
      "affs": [
        7
      ],
      "name": "Yurim Hong"
    },
    {
      "affs": [
        7
      ],
      "name": "In Su Lee",
      "orcid": "0000-0002-2588-1444"
    },
    {
      "affs": [
        6
      ],
      "name": "Daesu Lee",
      "orcid": "0000-0002-0646-5226"
    },
    {
      "affs": [
        4
      ],
      "name": "Chang‐Beom Eom",
      "orcid": "0000-0002-8854-1439"
    },
    {
      "affs": [
        3
      ],
      "name": "Jaekwang Lee",
      "orcid": "0000-0002-7854-4329"
    },
    {
      "affs": [
        2,
        8
      ],
      "name": "Minseok Choi",
      "orcid": "0000-0001-8967-3030"
    },
    {
      "affs": [
        5
      ],
      "name": "Sung‐Yoon Chung",
      "orcid": "0000-0002-2260-6201"
    },
    {
      "affs": [
        0,
        9,
        10
      ],
      "name": "Si‐Young Choi",
      "orcid": "0000-0003-1648-142X"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/7q8snd6ywj72m.bib",
  "cited_by": 0,
  "doi": "10.1002/advs.78589",
  "fulltext_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13735428/",
  "id": "7q8snd6ywj72m",
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  "landing_url": "https://doi.org/10.1002/advs.78589",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
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      "heading",
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      "2105|Electrocatalysts for Energy Conversion"
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  "pdf_url": "https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/advs.78589",
  "pmcid": "PMC13735428",
  "pmid": "42985822",
  "published": "2026-11-05",
  "publisher": "Wiley",
  "ris": "https://research.draconitic.com/paper/7q8snd6ywj72m.ris",
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  "subjects": [
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      "field": "chemistry",
      "origin": "openalex:2105|Electrocatalysts for Energy Conversion",
      "subfield": "electrochemistry-energy"
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  ],
  "title": "Surface Coordination‐Dependent Oxygen Evolution Pathways in Rutile IrO2",
  "title_text": "Surface Coordination‐Dependent Oxygen Evolution Pathways in Rutile IrO2",
  "type": "peer-reviewed",
  "updated_at": "2026-11-09T12:21:06Z",
  "url": "https://research.draconitic.com/paper/7q8snd6ywj72m",
  "venue": "Advanced Science",
  "versions": []
}