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Metal\u2013organic framework materials are promising sorbents for a variety of gases, but their limited capacity towards benzene at low concentration remains unresolved. Here we report the adsorption of trace benzene by decorating a structural defect in MIL-125-defect with single-atom metal centres to afford MIL-125-X (X\u2009=\u2009Mn, Fe, Co, Ni, Cu, Zn; MIL-125, Ti<jats:sub>8<\/jats:sub>O<jats:sub>8<\/jats:sub>(OH)<jats:sub>4<\/jats:sub>(BDC)<jats:sub>6<\/jats:sub> where H<jats:sub>2<\/jats:sub>BDC is 1,4-benzenedicarboxylic acid). At 298\u2009K, MIL-125-Zn exhibits a benzene uptake of 7.63\u2009mmol\u2009g<jats:sup>\u22121<\/jats:sup> at 1.2\u2009mbar and 5.33\u2009mmol\u2009g<jats:sup>\u22121<\/jats:sup> at 0.12\u2009mbar, and breakthrough experiments confirm the removal of trace benzene (from 5 to &lt;0.5\u2009ppm) from air (up to 111,000\u2009min\u2009g<jats:sup>\u22121<\/jats:sup> of metal\u2013organic framework), even after exposure to moisture. The binding of benzene to the defect and open Zn(II) sites at low pressure has been visualized by diffraction, scattering and spectroscopy. This work highlights the importance of fine-tuning pore chemistry for designing adsorbents for the removal of air pollutants.<\/jats:p>","DOI":"10.1038\/s41563-024-02029-1","type":"journal-article","created":{"date-parts":[[2024,10,29]],"date-time":"2024-10-29T17:01:59Z","timestamp":1730221319000},"page":"1531-1538","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":81,"title":["Trace benzene capture by decoration of structural defects in metal\u2013organic framework 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