{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T23:51:54Z","timestamp":1790034714248,"version":"4.0.1"},"reference-count":33,"publisher":"Oxford University Press (OUP)","issue":"9","license":[{"start":{"date-parts":[[2022,2,11]],"date-time":"2022-02-11T00:00:00Z","timestamp":1644537600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development of China","doi-asserted-by":"publisher","award":["2018YFA0703503"],"award-info":[{"award-number":["2018YFA0703503"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012166","name":"National Key Research and Development of China","doi-asserted-by":"publisher","award":["2018YFA0208504"],"award-info":[{"award-number":["2018YFA0208504"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21932006"],"award-info":[{"award-number":["21932006"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2022,10,20]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n               <jats:p>For single-atom catalysts (SACs), the catalyst supports are not only anchors for single atoms, but also modulators for geometric and electronic structures, which determine their catalytic performance. Selecting an appropriate support to prepare SACs with uniform coordination environments is critical for achieving optimal performance and clarifying the relationship between the structure and the property of SACs. Approaching such a goal is still a significant challenge. Taking advantage of the strong d-\u03c0 interaction between Cu atoms and diacetylenic in a graphdiyne (GDY) support, we present an efficient and simple strategy for fabricating Cu single atoms anchored on GDY (Cu1\/GDY) with uniform Cu1-C4 single sites under mild conditions. The Cu atomic structure was confirmed by combining synchrotron radiation X-ray absorption spectroscopy, X-ray photoelectron spectroscopy and density functional theory (DFT) calculations. The as-prepared Cu1\/GDY exhibits much higher activity than state-of-the-art SACs in direct benzene oxidation to phenol with H2O2 reaction, with turnover frequency values of 251 h\u22121 at room temperature and 1889 h\u22121 at 60\u00b0C, respectively. Furthermore, even with a high benzene conversion of 86%, high phenol selectivity (96%) is maintained, which can be ascribed to the hydrophobic and oleophyllic surface nature of Cu1\/GDY for benzene adsorption and phenol desorption. Both experiments and DFT calculations indicate that Cu1-C4 single sites are more effective at activating H2O2 to form Cu=O bonds, which are important active intermediates for benzene oxidation to phenol.<\/jats:p>","DOI":"10.1093\/nsr\/nwac018","type":"journal-article","created":{"date-parts":[[2022,2,9]],"date-time":"2022-02-09T12:36:57Z","timestamp":1644410217000},"source":"Crossref","is-referenced-by-count":66,"title":["Uniform single atomic Cu1-C4 sites anchored in graphdiyne for hydroxylation of benzene to phenol"],"prefix":"10.1093","volume":"9","author":[{"given":"Jia","family":"Yu","sequence":"first","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Key Laboratory of Molecular Nanostructures and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"},{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Changyan","family":"Cao","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Key Laboratory of Molecular Nanostructures and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"},{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hongqiang","family":"Jin","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Key Laboratory of Molecular Nanostructures and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"},{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Weiming","family":"Chen","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Key Laboratory of Molecular Nanostructures and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"},{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qikai","family":"Shen","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Key Laboratory of Molecular Nanostructures and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"},{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peipei","family":"Li","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Key Laboratory of Molecular Nanostructures and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"},{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lirong","family":"Zheng","sequence":"additional","affiliation":[{"name":"Beijing Synchrotron Radiation Facility (BSRF), Institute of High Energy Physics, Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Feng","family":"He","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Weiguo","family":"Song","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Key Laboratory of Molecular Nanostructures and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"},{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuliang","family":"Li","sequence":"additional","affiliation":[{"name":"University of Chinese Academy of Sciences , Beijing 100049 , China"},{"name":"Beijing National Laboratory for Molecular Sciences, CAS Research\/Education Center for Excellence in Molecular Sciences, Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2022,2,11]]},"reference":[{"key":"2022102016272518100_bib1","doi-asserted-by":"publisher","first-page":"89","DOI":"10.1016\/j.apcata.2004.08.030","article-title":"Industrial catalytic processes\u2014phenol production","volume":"280","author":"Schmidt","year":"2005","journal-title":"Appl Catal A"},{"key":"2022102016272518100_bib2","doi-asserted-by":"publisher","first-page":"1424","DOI":"10.3390\/catal10121424","article-title":"One-step catalytic or photocatalytic oxidation of benzene to phenol: possible alternative routes for phenol synthesis?","volume":"10","author":"Mancuso","year":"2020","journal-title":"Catalysts"},{"key":"2022102016272518100_bib3","doi-asserted-by":"publisher","first-page":"3900","DOI":"10.1021\/acs.iecr.5b04976","article-title":"Fe-supported SBA-16 type cagelike mesoporous silica with enhanced catalytic activity for direct 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