{
  "abstract": "Cation-disordered solids provide a chemically complex landscape in which local environments, lattice responses, and configurational disorder collectively influence ion transport. In cation-disordered rocksalt cathodes, Li+ diffusion has traditionally been interpreted using the static 0-transition-metal (0-TM) percolation rule, which assumes an ideal lattice and often underestimates experimentally accessible capacities. Here, we show that lattice distortion constitutes an essential and previously overlooked chemical degree of freedom that actively reshapes the Li+ percolation networks in disordered oxides. By combining Monte Carlo sampling of cation configurations with molecular dynamics simulations accelerated by machine learning interatomic potentials, we develop a lattice-responsive framework that quantitatively predicts Li+ percolation and electrochemical capacities with deviations from experiment below 5%. Our results reveal a causal coupling between lattice distortion and cation short-range order: enhanced local distortions suppress ordering and activate Li+ migration through nominally inaccessible 1-transition-metal (1-TM) diffusion channels, thereby extending the percolation network beyond the conventional 0-TM paradigm. Guided by this insight, we design and synthesize a multication cation-disordered rocksalt cathode, Li1.2Mn0.2Ti0.2V0.2Mo0.2O2, which exhibits increased lattice distortion, an expanded Li+ percolation network, and a high reversible capacity consistent with theoretical predictions. These findings establish lattice distortion as an active chemical parameter governing ion transport in disordered solids and provide a general design principle for ion-conducting materials.",
  "abstract_shown": true,
  "affiliations": [
    "School of Materials Science and Engineering, Peking University, Beijing100871, China.",
    "Zhejiang Key Laboratory of All-Solid-State Battery, Eastern Institute of Technology, Ningbo315200, China.",
    "High Energy Photon Source, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing100049, China.",
    "Multi-disciplinary Research Division, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049, China.",
    "Department of Materials Science and Engineering, University of Wisconsin─Madison, Madison, Wisconsin53706, United States.",
    "Beijing Key Laboratory of Theory and Technology for Advanced Batteries Materials, Peking University, Beijing100871, China."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 16,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Zichang Zhang",
      "orcid": "0009-0002-9709-4770"
    },
    {
      "affs": [
        1
      ],
      "name": "Lihua Feng"
    },
    {
      "affs": [
        0
      ],
      "name": "Jiewei Cheng",
      "orcid": "0000-0001-6464-4962"
    },
    {
      "affs": [
        0
      ],
      "name": "Peng-Hu Du",
      "orcid": "0000-0002-3984-6594"
    },
    {
      "affs": [
        1
      ],
      "name": "Chu-Liang Fu"
    },
    {
      "affs": [
        1
      ],
      "name": "Xintao Long"
    },
    {
      "affs": [
        1
      ],
      "name": "Anchun Tang"
    },
    {
      "affs": [
        2
      ],
      "name": "Longlong Fan",
      "orcid": "0000-0002-1748-1192"
    },
    {
      "affs": [
        3
      ],
      "name": "Kang Dong",
      "orcid": "0000-0003-4924-2775"
    },
    {
      "affs": [
        4
      ],
      "name": "Haoyu Wu"
    },
    {
      "affs": [
        1
      ],
      "name": "Weihan Li"
    },
    {
      "affs": [
        1
      ],
      "name": "Jian Peng",
      "orcid": "0000-0002-4624-054X"
    },
    {
      "affs": [
        1
      ],
      "name": "Shuo Wang",
      "orcid": "0000-0002-7907-9676"
    },
    {
      "affs": [
        0,
        5
      ],
      "name": "Dingguo Xia",
      "orcid": "0000-0003-2191-236X"
    },
    {
      "affs": [
        1
      ],
      "name": "Xueliang Sun",
      "orcid": "0000-0003-0374-1245"
    },
    {
      "affs": [
        0,
        5
      ],
      "name": "Qiang Sun",
      "orcid": "0000-0003-3872-7267"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/7e1qwhjb49kcc.bib",
  "cited_by": 0,
  "doi": "10.1021/jacs.6c05378",
  "fulltext_url": "https://europepmc.org/articles/PMC13632582",
  "id": "7e1qwhjb49kcc",
  "issns": [
    "0002-7863",
    "1520-5126"
  ],
  "landing_url": "https://europepmc.org/article/MED/42937883",
  "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",
      "2208|Advancements in Battery Materials"
    ]
  ],
  "openalex": "W7128864384",
  "pdf_url": "https://europepmc.org/articles/PMC13632582?pdf=render",
  "pmcid": "PMC13632582",
  "pmid": "42937883",
  "published": "2026-09-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/7e1qwhjb49kcc.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:22:24Z",
      "native_id": "MED:42937883",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42937883"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "journal-openalex:1605|Chemical Reaction Mechanisms",
      "subfield": "organic"
    }
  ],
  "title": "Interplay of Lattice Distortion and Cation Disorder Governs Li-Ion Transport in Cation-Disordered Rocksalt Cathodes.",
  "title_text": "Interplay of Lattice Distortion and Cation Disorder Governs Li-Ion Transport in Cation-Disordered Rocksalt Cathodes.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:22:24Z",
  "url": "https://research.draconitic.com/paper/7e1qwhjb49kcc",
  "venue": "Journal of the American Chemical Society",
  "versions": []
}