{
  "abstract": "The electrochemical two-electron oxygen reduction reaction (2e- ORR) provides a sustainable route for hydrogen peroxide (H2O2) production. However, its efficiency is fundamentally constrained by the spin-forbidden activation of triplet O2 and the subsequent proton-coupled electron-transfer steps required to form singlet H2O2. Herein, we report a pyrazine-functionalized nickel phthalocyanine catalyst (NiPNPC) that overcomes these constraints and achieves exceptional selectivity for H2O2 (up to 97.15%). In situ spectroscopic and computational studies reveal that the pyrazine units within the macrocyclic ligand promote a dynamic spin-crossover at the Ni center from a low-spin to a high-spin under cathodic polarization for O2 activation, thereby resolving the intrinsic spin mismatch. Concurrently, the pyrazine units facilitate the reorganization of a well-defined hydrogen-bonding network at the electrolyte-catalyst interface. This network ensures efficient proton delivery to the active center and thereby efficient H2O2 formation. The synergy between dynamic spin-state modulation and interfacial hydrogen-bond engineering provides a mechanistic understanding for selective H2O2 formation and establishes a new design paradigm for advanced molecular electrocatalysts in sustainable synthesis.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry, City University of Hong Kong, Kowloon999077, Hong Kong SAR, P. R. China.",
    "State Key Lab of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun130012, P. R. China.",
    "Hong Kong Institute for Clean Energy, City University of Hong Kong, Kowloon999077, Hong Kong SAR, P. R. China.",
    "Shenzhen Research Institute, City University of Hong Kong, Shenzhen518057, P. R. China.",
    "Hong Kong Branch of National Precious Metals Materials Engineering Research Center, City University of Hong Kong, Kowloon999077, Hong Kong SAR, P. R. China."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Libo Sun",
      "orcid": "0000-0002-5006-8455"
    },
    {
      "affs": [
        0
      ],
      "name": "Yanjie Zhai",
      "orcid": "0000-0002-1229-7337"
    },
    {
      "affs": [
        0
      ],
      "name": "Zhiying Wu"
    },
    {
      "affs": [
        0
      ],
      "name": "Dongxue Yu"
    },
    {
      "affs": [
        1
      ],
      "name": "Zhiqiang Liang",
      "orcid": "0000-0003-4473-8544"
    },
    {
      "affs": [
        1
      ],
      "name": "Zhen-An Qiao",
      "orcid": "0000-0001-6064-9360"
    },
    {
      "affs": [
        0,
        2,
        3,
        4
      ],
      "name": "Hua Zhang",
      "orcid": "0000-0001-9518-740X"
    },
    {
      "affs": [
        0,
        4
      ],
      "name": "Xin Wang",
      "orcid": "0000-0003-2686-466X"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/4xwsh79g813kn.bib",
  "cited_by": 0,
  "doi": "10.1021/jacs.6c16940",
  "fulltext_url": "https://europepmc.org/articles/PMC13632549",
  "id": "4xwsh79g813kn",
  "issns": [
    "0002-7863",
    "1520-5126"
  ],
  "landing_url": "https://europepmc.org/article/MED/42937837",
  "language": "eng",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2105|Electrocatalysts for Energy Conversion"
    ]
  ],
  "openalex": "W7213233042",
  "pdf_url": "https://europepmc.org/articles/PMC13632549?pdf=render",
  "pmcid": "PMC13632549",
  "pmid": "42937837",
  "published": "2026-09-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/4xwsh79g813kn.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:22:24Z",
      "native_id": "MED:42937837",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42937837"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2105|Electrocatalysts for Energy Conversion",
      "subfield": "electrochemistry-energy"
    }
  ],
  "title": "Potential Driven Spin-Crossover Synergized with Hydrogen-Bond Engineering in a Molecular Catalyst for Selective H2O2 Electrosynthesis.",
  "title_text": "Potential Driven Spin-Crossover Synergized with Hydrogen-Bond Engineering in a Molecular Catalyst for Selective H2O2 Electrosynthesis.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:22:24Z",
  "url": "https://research.draconitic.com/paper/4xwsh79g813kn",
  "venue": "Journal of the American Chemical Society",
  "versions": []
}