{
  "abstract": "Atomic-scale regulation of photogenerated electrons remains a central challenge in reductive photocatalysis because highly reductive electrons are intrinsically prone to rapid recombination and spatial delocalization. Although crystal-facet engineering and defect modulation have independently improved photocatalytic performance, their synergistic coupling in governing electron accumulation and carrier kinetics remains poorly understood. Here, we report a facet-defect coupling strategy that enables spatially confined electron accumulation in ZnIn₂S₄ through preferential exposure of high-index {102} facets. Density functional theory calculations reveal that the {102} facets simultaneously have a more negative conduction band minimum and intrinsically lower sulfur vacancy formation energy than conventional {110} facets, thereby coupling enhanced reduction thermodynamics with spontaneous defect generation. Guided by these predictions, an ethanol-glycerol-mediated solvothermal strategy was developed to stabilize the high-energy {102} facets via surface-energy regulation. Combined crystallographic, spectroscopic, and ultrafast transient absorption analyses demonstrate that the facet-induced sulfur vacancies act as long-lived electron-trapping centers, promoting electron localization, suppressing charge recombination, and prolonging carrier lifetime. As a result, the engineered ZnIn₂S₄ exhibits substantially enhanced catalytic activity across representative multielectron transformations, including H₂O₂ photosynthesis, H₂ evolution, Cr(VI)/U(VI) reduction, and perfluoroalkyl substance defluorination. This work establishes facet-defect coupling as a general strategy for regulating electron accumulation and carrier behavior to advance reductive photocatalysis at the atomic scale.",
  "abstract_shown": true,
  "affiliations": [
    "Shandong Key Laboratory of Environmental Processes and Health, School of Environmental Science and Engineering, Shandong University, Qingdao 266237, China.",
    "Shandong Provincial Key Laboratory for Science of Material Creation and Energy Conversion, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, Shandong, China.",
    "Henan Institute of Advanced Technology, Zhengzhou University, Zhengzhou 450001, Henan, China.",
    "School of Chemical and Biomolecular Engineering, The University of Sydney, Sydney, New South Wales 2006, Australia.",
    "State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China.",
    "Department of Chemistry and Biochemistry, Florida International University, Miami, FL 33199, United States.",
    "Department of Earth and Environmental Science, University of Pennsylvania, Philadelphia, PA 19104-6316, United States."
  ],
  "article_type": "Research Article",
  "arxiv": null,
  "author_total": 14,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Xiangcheng Shan",
      "orcid": "0009-0005-7575-0273"
    },
    {
      "affs": [
        1
      ],
      "name": "Lu Qi",
      "orcid": "0000-0002-5667-4464"
    },
    {
      "affs": [
        0
      ],
      "name": "Xiaoyu Zhang",
      "orcid": "0009-0001-1846-1791"
    },
    {
      "affs": [
        2
      ],
      "name": "Zongwei Chen",
      "orcid": "0009-0000-1658-140X"
    },
    {
      "affs": [
        0
      ],
      "name": "Xiaoyang Song",
      "orcid": "0009-0009-8732-7308"
    },
    {
      "affs": [
        3
      ],
      "name": "Qiang Song",
      "orcid": "0009-0005-0155-0105"
    },
    {
      "affs": [
        0
      ],
      "name": "Runzeng Liu",
      "orcid": "0000-0002-0219-8052"
    },
    {
      "affs": [
        0
      ],
      "name": "Canzhu Gao"
    },
    {
      "affs": [
        4
      ],
      "name": "Yongguang Yin",
      "orcid": "0000-0002-7287-8598"
    },
    {
      "affs": [
        5
      ],
      "name": "Yong Cai",
      "orcid": "0000-0002-2811-4638"
    },
    {
      "affs": [
        3
      ],
      "name": "Patrick J. Cullen"
    },
    {
      "affs": [
        6
      ],
      "name": "Joseph S. Francisco",
      "orcid": "0000-0002-5461-1486"
    },
    {
      "affs": [
        0
      ],
      "name": "Qingzhe Zhang",
      "orcid": "0000-0001-7854-6634"
    },
    {
      "affs": [
        4
      ],
      "name": "Guibin Jiang",
      "orcid": "0000-0002-6335-3917"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/734gbt1jwgjaq.bib",
  "cited_by": 0,
  "doi": "10.1126/sciadv.aek0913",
  "fulltext_url": "https://europepmc.org/articles/PMC13715688",
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  "language": "eng",
  "licence": "CC-BY-NC",
  "licence_label": "CC BY-NC",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc/4.0/",
  "metadata_licence": null,
  "native_subjects": [
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    ],
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      "heading",
      "Materials Science"
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      "heading",
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      "heading",
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    [
      "openalex",
      "2105|Advanced Photocatalysis Techniques"
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  "pdf_url": "https://europepmc.org/articles/PMC13715688?pdf=render",
  "pmcid": "PMC13715688",
  "pmid": "42950031",
  "published": "2026-10-28",
  "publisher": "American Association for the Advancement of Science (AAAS)",
  "ris": "https://research.draconitic.com/paper/734gbt1jwgjaq.ris",
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  "subjects": [
    {
      "field": "chemistry",
      "origin": "heading:Materials Science",
      "subfield": "materials-polymers"
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  ],
  "title": "Atomic-scale facet-defect coupling enables spatially confined electron accumulation in ZnIn2S4 for reductive photocatalysis",
  "title_text": "Atomic-scale facet-defect coupling enables spatially confined electron accumulation in ZnIn2S4 for reductive photocatalysis",
  "type": "peer-reviewed",
  "updated_at": "2026-11-01T12:22:55Z",
  "url": "https://research.draconitic.com/paper/734gbt1jwgjaq",
  "venue": "Science Advances",
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}