{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T19:03:54Z","timestamp":1788980634356,"version":"build-2803163510"},"reference-count":42,"publisher":"Wiley","issue":"20","license":[{"start":{"date-parts":[[2024,3,19]],"date-time":"2024-03-19T00:00:00Z","timestamp":1710806400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS-2023-00221668"],"award-info":[{"award-number":["RS-2023-00221668"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22241202"],"award-info":[{"award-number":["22241202"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"published-print":{"date-parts":[[2024,5,13]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Crafting single\u2010atom catalysts (SACs) that possess \u201cjust right\u201d modulated electronic and geometric structures, granting accessible active sites for direct room\u2010temperature benzene oxidation is a coveted objective. However, achieving this goal remains a formidable challenge. Here, we introduce an innovative in situ phosphorus\u2010immitting strategy using a new phosphorus source (phosphorus nitride, P<jats:sub>3<\/jats:sub>N<jats:sub>5<\/jats:sub>) to construct the phosphorus\u2010rich copper (Cu) SACs, designated as Cu\/NPC. These catalysts feature locally protruding metal sites on a nitrogen (N)\u2010phosphorus (P)\u2010carbon (C) support (NPC). Rigorous analyses, including X\u2010ray absorption spectroscopy (XAS) and X\u2010ray photoelectron spectroscopy (XPS), validate the coordinated bonding of nitrogen and phosphorus with atomically dispersed Cu sites on NPC. Crucially, systematic first\u2010principles calculations, coupled with the climbing image nudged\u2010elastic\u2010band (CI\u2010NEB) method, provide a comprehensive understanding of the structure\u2010property\u2010activity relationship of the distorted Cu\u2212N<jats:sub>2<\/jats:sub>P<jats:sub>2<\/jats:sub> centers in Cu\/NPC for selective oxidation of benzene to phenol production. Interestingly, Cu\/NPC has shown more energetically favorable C\u2212H bond activation compared to the benchmark Cu\/NC SACs in the direct oxidation of benzene, resulting in outstanding benzene conversion (50.3\u2009%) and phenol selectivity (99.3\u2009%) at room temperature. Furthermore, Cu\/NPC achieves a remarkable turnover frequency of 263\u2005h<jats:sup>\u22121<\/jats:sup> and mass\u2010specific activity of 35.2\u2005mmol\u2009g<jats:sup>\u22121<\/jats:sup>\u2009h<jats:sup>\u22121<\/jats:sup>, surpassing the state\u2010of\u2010the\u2010art benzene\u2010to\u2010phenol conversion catalysts to date.<\/jats:p>","DOI":"10.1002\/anie.202403017","type":"journal-article","created":{"date-parts":[[2024,3,2]],"date-time":"2024-03-02T08:55:33Z","timestamp":1709369733000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":18,"title":["Out\u2010of\u2010Plane Single\u2010Copper\u2010Site Catalysts for Room\u2010Temperature Benzene Oxidation"],"prefix":"10.1002","volume":"63","author":[{"given":"Wei","family":"Che","sequence":"first","affiliation":[{"name":"School of Energy and Chemical Engineering\/Center for Dimension-Controllable Organic Frameworks Ulsan National Institute of Science and Technology (UNIST)  Ulsan 44919 (Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pai","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Integrated Circuit Materials Shanghai Institute of Microsystem and Information Technology Chinese Academy of Sciences  Shanghai 200050 P. 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