{
  "abstract": "Hydrogen-evolution activity is commonly rationalized through hydrogen adsorption energies and the Sabatier principle, yet this descriptor picture becomes ambiguous on multimetallic surfaces, where each composition exposes a distribution of local adsorption environments. Here we investigate whether the bare-surface work function, previously shown to add predictive information for monometallic surfaces, remains an activity descriptor for compositionally complex surfaces. We test this on three combinatorial Ag-Au-Pd-Pt thin-film materials libraries screened for acidic hydrogen evolution by scanning electrochemical cell microscopy. Graph neural networks provide adsorption-energy distributions and work functions for each measured composition. A work-function-only model explained most of the activity variation (mean $R^2_\\mathrm{log}$ = 0.903), as did a coverage-corrected adsorption model (mean $R^2_\\mathrm{log}$ = 0.955), outperforming dilute adsorption (mean $R^2_\\mathrm{log}$ = 0.758). Combining work function and coverage-corrected adsorption yielded the highest fit quality (mean $R^2_\\mathrm{log}$ = 0.969), but only a small gain over coverage-corrected adsorption alone. For these four metals the coverage-corrected adsorption energy and work function follow a similar trend, producing similar activity rankings, hence including both adds little beyond either one individually, although both are strong predictors.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2608.28347",
  "author_total": 11,
  "authors": [
    {
      "name": "Zacharias Liasi"
    },
    {
      "name": "Ridha Zerdoumi"
    },
    {
      "name": "Felix Thelen"
    },
    {
      "name": "Geovane Arruda de Oliveira"
    },
    {
      "name": "Rico Zehl"
    },
    {
      "name": "Natalia Pukhareva"
    },
    {
      "name": "Leonardo H. Morais"
    },
    {
      "name": "Henrik H. Kristoffersen"
    },
    {
      "name": "Alfred Ludwig"
    },
    {
      "name": "Wolfgang Schuhmann"
    },
    {
      "name": "Jan Rossmeisl"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/2pr813xbgdstt.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2608.28347",
  "fulltext_url": null,
  "id": "2pr813xbgdstt",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2608.28347",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "openalex",
      "2105|Electrocatalysts for Energy Conversion"
    ]
  ],
  "openalex": "W7204774314",
  "pdf_url": "https://arxiv.org/pdf/2608.28347",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-28",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/2pr813xbgdstt.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:22Z",
      "native_id": "2608.28347",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2608.28347"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Work Function and High-Coverage Adsorption Energy as Hydrogen-Evolution Descriptors on Ag-Au-Pd-Pt Alloys",
  "title_text": "Work Function and High-Coverage Adsorption Energy as Hydrogen-Evolution Descriptors on Ag-Au-Pd-Pt Alloys",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:22Z",
  "url": "https://research.draconitic.com/paper/2pr813xbgdstt",
  "venue": "arXiv",
  "versions": []
}