{
  "abstract": "Borophene nanoribbons (BNRs), having semi-metallic ferromagnetism, are promising materials for gas sensing applications. This work represents interaction behavior and electronic response of BNRs toward NO ₂ , SO ₂ , CO ₂ , H ₂ S, NH ₃ , H ₂ , H ₂ O, N ₂ and O ₂ gases. The interaction energies reveal that CO ₂ and H ₂ display very weak interactions, with energy value of just −1.8 kcal.mol − 1 and − 0.5 kcal.mol − 1 , respectively, whereas NO ₂ , H ₂ S, and SO ₂ , show strong interactions exhibiting energies of −22.5 kcal.mol − 1 , −20.0 kcal.mol − 1 and −11.4 kcal.mol − 1 , respectively. NH ₃ demonstrates moderate interaction representing energy value of −4.6 kcal.mol − 1 . Electronic structure analysis reveals that the high level of interactions of NO ₂ , H ₂ S, and SO ₂ with BNRs originates from significant charge transfer from the gas molecules to the nanoribbons, leading to substantial redistribution in the density of states. In contrast, CO ₂ and H ₂ exhibit negligible electronic perturbations upon adsorption, representing weak physisorption, which favors selectivity. However, in case of NH ₃ , a moderate partial charge transfer to BNRs is observed, indicating that BNRs can selectively respond to NH₃ among small gas molecules. These findings suggest that BNRs are promising for next-generation ultrasensitive and selective gas sensing, showing stronger interactions with NO ₂ , SO ₂ , and H ₂ S than graphene, MoS ₂ , and phosphorene due to electron-deficient boron and reactive edge states.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 6,
  "authors": [
    {
      "name": "Muhammad Jameel"
    },
    {
      "name": "Nasir Shahzad"
    },
    {
      "name": "Imran Ahmad Siddiqui"
    },
    {
      "name": "Rida Zahid"
    },
    {
      "name": "Martin Motola",
      "orcid": "0000-0001-7394-9944"
    },
    {
      "name": "Majid Ali"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/f4zg9a5vt75jn.bib",
  "cited_by": 0,
  "doi": "10.1038/s41598-026-72487-x",
  "fulltext_url": null,
  "id": "f4zg9a5vt75jn",
  "issns": [
    "2045-2322"
  ],
  "landing_url": "https://www.nature.com/articles/s41598-026-72487-x",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2505|Boron and Carbon Nanomaterials Research"
    ]
  ],
  "openalex": "W7214948529",
  "pdf_url": "https://www.nature.com/articles/s41598-026-72487-x_reference.pdf",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-30",
  "publisher": "Springer Science and Business Media LLC",
  "ris": "https://research.draconitic.com/paper/f4zg9a5vt75jn.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:19Z",
      "native_id": "10.1038/s41598-026-72487-x",
      "source": "crossref",
      "url": "https://www.nature.com/articles/s41598-026-72487-x"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|Boron and Carbon Nanomaterials Research",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Borophene nanoribbons for ultrasensitive and selective detection of toxic gases: a DFT study",
  "title_text": "Borophene nanoribbons for ultrasensitive and selective detection of toxic gases: a DFT study",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:19Z",
  "url": "https://research.draconitic.com/paper/f4zg9a5vt75jn",
  "venue": "Scientific Reports",
  "versions": []
}