{
  "abstract": "Borophene and copper foil possess numerous advantages in the field of electrocatalysis. In this study, 3d transition metal (M) single atoms were loaded to α-borophene which was supported by copper foil (CF) to form M@α-B/CF (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn), in which the M atoms were loaded at the hexagonal vacancies of α-borophene serving as metallic active sites. The catalytic activities of various M@α-B/CF were investigated for OER/ORR under alkaline conditions using a density functional theory (DFT) simulation. Our systematic analysis found that Ni@α-B/CF exhibits a slightly lower calculated OER overpotential than the reported theoretical IrO2 benchmark, suggesting potentially competitive intrinsic OER activity. In addition, Co@α-B/CF with hydroxyl modulation (Co@α-B/CF–OH) demonstrated stability and promising catalytic activity in OER/ORR, with the overpotentials of 0.26 and 0.28 V, respectively. This study provided theoretical guidance for the rational design of novel single-atom-loaded borophene on the copper foil support catalysts in ORR/OER.",
  "abstract_shown": true,
  "affiliations": [
    "Jiangxi University of Science and Technology , , ,",
    "Keimyung University , , 1095 Dalgubeol-daero , ,",
    "Murdoch University , , , ,"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Haiyan Liu"
    },
    {
      "affs": [
        0
      ],
      "name": "Chao Liu",
      "orcid": "0000-0002-0025-3636"
    },
    {
      "affs": [
        0
      ],
      "name": "Songmao Liu"
    },
    {
      "affs": [
        0
      ],
      "name": "Xunjun Chen"
    },
    {
      "affs": [
        0
      ],
      "name": "Chenggong He"
    },
    {
      "affs": [
        1
      ],
      "name": "Shaik Gouse Peera",
      "orcid": "0000-0002-2288-8800"
    },
    {
      "affs": [
        0
      ],
      "name": "Haohao Ling"
    },
    {
      "affs": [
        2
      ],
      "name": "Dan Li"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/97j5yvanty5xd.bib",
  "cited_by": 0,
  "doi": "10.1021/acsomega.6c04014",
  "fulltext_url": null,
  "id": "97j5yvanty5xd",
  "issns": [
    "2470-1343"
  ],
  "landing_url": "https://pubs.acs.org/acsodf/article/doi/10.1021/acsomega.6c04014/5456909/Optimizing-Borophene-with-Copper-Foil-Support-via",
  "language": null,
  "licence": "CC-BY-NC-ND-4.0",
  "licence_label": "CC BY-NC-ND 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2105|Electrocatalysts for Energy Conversion"
    ]
  ],
  "openalex": "W7223277352",
  "pdf_url": "https://pubs.acs.org/doi/pdf/10.1021/acsomega.6c04014",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-23",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/97j5yvanty5xd.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:40Z",
      "native_id": "10.1021/acsomega.6c04014",
      "source": "crossref",
      "url": "https://pubs.acs.org/acsodf/article/doi/10.1021/acsomega.6c04014/5456909/Optimizing-Borophene-with-Copper-Foil-Support-via"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2105|Electrocatalysts for Energy Conversion",
      "subfield": "electrochemistry-energy"
    }
  ],
  "title": "Optimizing Borophene with Copper Foil Support via 3d Transition Metal Loading and Hydroxyl Ligand Modulation: A Potential Catalyst for Oxygen Evolution/Reduction Reactions",
  "title_text": "Optimizing Borophene with Copper Foil Support via 3d Transition Metal Loading and Hydroxyl Ligand Modulation: A Potential Catalyst for Oxygen Evolution/Reduction Reactions",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:18:40Z",
  "url": "https://research.draconitic.com/paper/97j5yvanty5xd",
  "venue": "ACS Omega",
  "versions": []
}