{
  "abstract": "Motivated by the technological relevance of S-doped few-layer graphene (FLG) in battery applications and in the oxygen reduction reaction, we systematically explore the effect of basal plane S-doping on the electronic properties of mono-, bi-, and four-layer graphene, using first-principles calculations with van der Waals corrections. In the monolayer we find a variety of effects ranging from a sustained Dirac cone with localized impurity bands away from the Fermi level for thiophenic doping (2V1S) to a band gap opening of 0.4 eV and impurity flat bands close to the Fermi-level for graphitic doping (1V1S) and an additional $n$-type doping together with spin-polarization for thiopyranic doping (4V3S). Incorporation in FLG leads to modification of the Dirac cone into a set of hyperbolic touching bands in 2V1S; reduction (bilayer) and closing of the band gap with additional hyperbolic touching bands in conjunction with an impurity flat band at the Fermi level in 1V1S and 4V3S and a reduction of spin polarization in the latter. Overall, S-doping enables design of the band structure and tuning the electronic behavior of FLG from metallic to insulating and from linear dispersion to impurity flat bands that makes S-doped FLG a promising material for versatile technological applications.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2605.12256",
  "author_total": 2,
  "authors": [
    {
      "name": "Armin Sahinovic"
    },
    {
      "name": "Rossitza Pentcheva"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/5shc2z601j5s3.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2605.12256",
  "fulltext_url": null,
  "id": "5shc2z601j5s3",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2605.12256",
  "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|Graphene research and applications"
    ]
  ],
  "openalex": "W7161020275",
  "pdf_url": "https://arxiv.org/pdf/2605.12256",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-28",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/5shc2z601j5s3.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:22Z",
      "native_id": "2605.12256",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2605.12256"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Engineering the band structure of few-layer graphene by S-doping: from linear dispersion to impurity flat bands",
  "title_text": "Engineering the band structure of few-layer graphene by S-doping: from linear dispersion to impurity flat bands",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:22Z",
  "url": "https://research.draconitic.com/paper/5shc2z601j5s3",
  "venue": "arXiv",
  "versions": []
}