{
  "abstract": "Platinum-based chalcogenides (PtX2) can be efficiently activated as electrocatalysts for water splitting through the hydrogen evolution reaction (HER). Edges in layered PtSe2 are effective in HER; however, the effect of edge interaction with conductive electrodes like graphene remains unclear. This study investigates the mechanism by which PtX2 (X = S, Se, Te) edges interact with graphene to uncover the origin of chalcogen-dependent differences in electrocatalysis through interfacial electronic coupling. Graphene flakes decorated with PtX2 nanosheets have reduced overpotential and enhanced kinetics in the HER. Interestingly, PtSe2/graphene exhibits the lowest overpotential among all samples, even though it also has the lowest electrochemically accessible surface area. First-principles calculations confirm the interfacial coupling between PtSe2 edges and graphene with pronounced charge accumulation in platinum-selenium edges. Gibbs free energy calculations show different activities for different chalcogens of PtX2/graphene, consistent with experimental results. Our findings indicate that graphene acts as an electronic regulator for PtSe2/graphene, which enhances the intrinsic catalytic activity of the platinum-selenium edge sites, making them more effective for the HER despite their lower density. This interfacial electronic coupling through conductive electrodes provides a powerful strategy for the rational design of next-generation electrocatalysts, enabling enhanced activity and selectivity in advanced electrochemical systems.",
  "abstract_shown": true,
  "affiliations": [
    "Chair of Theoretical Chemistry",
    "Technische Universität Dresden",
    "CRANN Research Centre",
    "Trinity College Dublin",
    "School of Chemistry",
    "Department of Catalytic Materials: Design and Integration, Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, Berlin, Germany",
    "Department of Inorganic Chemistry, Faculty of Chemical Technology",
    "University of Chemistry and Technology Prague",
    "Centrum for Advanced Systems Understanding",
    "CASUS",
    "Department of Chemistry",
    "Yonsei University and IBS Center for Nanomedicine"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 9,
  "authors": [
    {
      "affs": [
        0,
        1,
        2,
        3,
        4
      ],
      "name": "Ilias M. Oikonomou",
      "orcid": "0000-0001-5859-5834"
    },
    {
      "affs": [
        5
      ],
      "name": "Axel Zuber"
    },
    {
      "affs": [
        2,
        3,
        4
      ],
      "name": "Apostolos Koutsioukis",
      "orcid": "0000-0002-2194-2078"
    },
    {
      "affs": [
        6,
        7
      ],
      "name": "Iva Plutnarová",
      "orcid": "0000-0002-6766-0615"
    },
    {
      "affs": [
        6,
        7
      ],
      "name": "Zdenek Sofer"
    },
    {
      "affs": [
        5
      ],
      "name": "Michelle P. Browne"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Thomas Brumme",
      "orcid": "0000-0002-5033-1065"
    },
    {
      "affs": [
        0,
        1,
        8,
        9,
        10,
        11
      ],
      "name": "Thomas Heine",
      "orcid": "0000-0003-2379-6251"
    },
    {
      "affs": [
        2,
        3,
        4
      ],
      "name": "Valeria Nicolosi",
      "orcid": "0000-0002-7637-4813"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/e61xahe9a46j3.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15009764/v1",
  "fulltext_url": null,
  "id": "e61xahe9a46j3",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009764/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2105|Electrocatalysts for Energy Conversion"
    ]
  ],
  "openalex": "W7216545437",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15009764/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-02",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/e61xahe9a46j3.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:21Z",
      "native_id": "10.26434/chemrxiv.15009764",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009764/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2105|Electrocatalysts for Energy Conversion",
      "subfield": "electrochemistry-energy"
    }
  ],
  "title": "PtSe2/Graphene Interfacial Coupling Enhances the Intrinsic Electrocatalytic Activity of PtSe2 Edge Sites",
  "title_text": "PtSe2/Graphene Interfacial Coupling Enhances the Intrinsic Electrocatalytic Activity of PtSe2 Edge Sites",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:21Z",
  "url": "https://research.draconitic.com/paper/e61xahe9a46j3",
  "venue": "ChemRxiv",
  "versions": []
}