{
  "abstract": "Multimetallic nanoparticles (NPs) offer access to a vast compositional and architectural design space, yet controlled formation of core-shell and multi-shell architectures rapidly becomes unpredictable as compositional complexity increases. As a result, architectural outcomes are often regarded as system-specific and governed primarily by kinetic effects. Here, we identify a unifying thermodynamic principle that governs shell formation in multimetallic NPs based on binary mixing enthalpies and phase behaviour. By systematically establishing enthalpy-driven rules in binary NPs and extending them to higher-order compositions, we show that elemental segregation and the composition and sequence of multiple shells in NPs containing up to five elements are predictable despite their combinatorial complexity, even when synthesised in a simple one-pot wet-chemical reaction. These results demonstrate that thermodynamic interactions maintain predictive power as compositional complexity increases and provide a general framework for rationalising architectural design in multimetallic NPs.",
  "abstract_shown": true,
  "affiliations": [
    "Center for High Entropy Alloy Catalysis, Department of Chemistry, University of Copenhagen, Universitetsparken 5, København Ø, Denmark, 2100",
    "Center for Sustainable Energy Materials, Department of Chemistry, Aarhus University, Langelandsgade 140, Aarhus C, Denmark, 8000"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 10,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Jette Katja Mathiesen",
      "orcid": "0000-0001-6252-4131"
    },
    {
      "affs": [
        0
      ],
      "name": "Tobias Mølgaard Nielsen",
      "orcid": "0000-0002-5976-9928"
    },
    {
      "affs": [
        1
      ],
      "name": "Rasmus Rohde",
      "orcid": "0009-0004-8972-8440"
    },
    {
      "affs": [
        1
      ],
      "name": "Rebekka Klemmt",
      "orcid": "0009-0006-4912-2043"
    },
    {
      "affs": [
        0
      ],
      "name": "Christian Møgelberg Clausen",
      "orcid": "0000-0003-1207-5264"
    },
    {
      "affs": [
        0
      ],
      "name": "Ulrik Friis-Larsen",
      "orcid": "0000-0001-6154-1167"
    },
    {
      "affs": [
        0
      ],
      "name": "Rebecca Katharina Pittkowski",
      "orcid": "0000-0002-0351-4993"
    },
    {
      "affs": [
        0
      ],
      "name": "Jan Rossmeisl",
      "orcid": "0000-0001-7749-6567"
    },
    {
      "affs": [
        0
      ],
      "name": "Kirsten Marie Ørnsbjerg Jensen",
      "orcid": "0000-0003-0291-217X"
    },
    {
      "affs": [
        1
      ],
      "name": "Espen Drath Bøjesen",
      "orcid": "0000-0002-9352-9514"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/8b1cawm53k1gx.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010887/v1",
  "fulltext_url": null,
  "id": "8b1cawm53k1gx",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010887/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2505|Chemical and Physical Properties of Materials"
    ]
  ],
  "openalex": "W7223175295",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010887/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-22",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/8b1cawm53k1gx.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:26Z",
      "native_id": "10.26434/chemrxiv.15010887",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010887/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|Chemical and Physical Properties of Materials",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Enthalpy-Driven Design Rules for Multi-Shell Multimetallic Nanoparticles",
  "title_text": "Enthalpy-Driven Design Rules for Multi-Shell Multimetallic Nanoparticles",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:26Z",
  "url": "https://research.draconitic.com/paper/8b1cawm53k1gx",
  "venue": "ChemRxiv",
  "versions": []
}