{
  "annotation_id": "5a187f12-5aed-437b-9239-85ead6c02492",
  "date_created": "2026-03-02T18:01:18.508000Z",
  "date_modified": "2026-03-02T18:01:18.508000Z",
  "file_hash": "205ffef6ccbbf1bb63388450fcadcf0e27a470abee1c2e5b187826484f257a05",
  "private": false,
  "record": {
    "abstract": "The zigzag edge of a graphene nanoribbon possesses a unique electronic state\nthat is near the Fermi level and localized at the edge carbon atoms. We\ninvestigate the chemical reactivity of these zigzag edge sites by examining\ntheir reaction energetics with common radicals from first principles. A\n\"partial radical\" concept for the edge carbon atoms is introduced to\ncharacterize their chemical reactivity, and the validity of this concept is\nverified by comparing the dissociation energies of edge-radical bonds with\nsimilar bonds in molecules. In addition, the uniqueness of the zigzag-edged\ngraphene nanoribbon is further demonstrated by comparing it with other forms of\nsp2 carbons, including a graphene sheet, nanotubes, and an armchair-edged\ngraphene nanoribbon.",
    "arxiv_id": "physics/0702209",
    "authors": [
      "De-en Jiang",
      "Bobby G. Sumpter",
      "Sheng Dai"
    ],
    "categories": [
      "physics.chem-ph",
      "physics.comp-ph"
    ],
    "doi": "10.1063/1.2715558",
    "journal_ref": "J. Chem. Phys. 126, 134701 (2007) (6 pages)",
    "title": "The unique chemical reactivity of a graphene nanoribbon\u0027s zigzag edge",
    "url": "https://arxiv.org/abs/physics/0702209"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "7723bf0e-0de2-4484-9e17-08ac0a57676c",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}