{
  "abstract": "MXene properties are typically tuned through composition, surface termination, and intercalation, while the metal-carbon framework topology is considered fixed. Here, we demonstrate that this framework can reconstruct. Unconstrained relaxations of biaxially strained bare Ti3C2 yield a dynamically stable polymorph, N, featuring a 15-atom primitive cell, six distinct Ti-C bond classes, and 2.55 Å Ti-Ti pairs. The coherent transformation pathway crosses an 8.47 eV barrier per cell but first reaches another reconstructed minimum, N', lying 1.08 eV below N, revealing a family of bond-switched networks. Phase N lies 7.58 eV per cell above the parent. Reverse barriers along the calculated pathway are 1.50 and 1.98 eV per cell for N and N', respectively. Reconstruction quenches the parent spin polarization, yielding a nonmagnetic metal with a nearly fourfold increase in Fermi-level density of states. Bader and electron-localization analyses suggest charge redistribution from C toward Ti associated with Ti-Ti pairing. In multilayers, reconstructed layers form interlayer Ti-C bonds. A 10% biaxial tension halves the phase-energy difference, and pressure reverses phase ordering near 85 GPa. These results establish bond-switching reconstruction as a mechanically controllable structural degree of freedom in MXenes.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.11062",
  "author_total": 1,
  "authors": [
    {
      "name": "Kui Lin"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/1ksk7s45xnqgp.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.11062",
  "fulltext_url": null,
  "id": "1ksk7s45xnqgp",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.11062",
  "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",
      "2505|MXene and MAX Phase Materials"
    ]
  ],
  "openalex": "W7221074772",
  "pdf_url": "https://arxiv.org/pdf/2610.11062",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-08",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/1ksk7s45xnqgp.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:27:54Z",
      "native_id": "2610.11062",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.11062"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Bond-Switching Reconstruction in Bare Ti3C2 MXene",
  "title_text": "Bond-Switching Reconstruction in Bare Ti3C2 MXene",
  "type": "preprint",
  "updated_at": "2026-10-30T12:27:54Z",
  "url": "https://research.draconitic.com/paper/1ksk7s45xnqgp",
  "venue": "arXiv",
  "versions": []
}