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A comprehensive investigation is conducted to study the impact of different coordination numbers of single Fe atoms on photocatalytic CH\n                    <jats:sub>4<\/jats:sub>\n                    oxidation reaction over carbon nitride. Among which, Fe\n                    <jats:sub>1<\/jats:sub>\n                    \/C\n                    <jats:sub>3\u2010x<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    with a Fe\u2010N3 coordination exhibit an exceptional photocatalytic performance in CH\n                    <jats:sub>4<\/jats:sub>\n                    oxidation, reaching a remarkable methanol yield of 928.27\u00a0\u00b5mol\u00a0g\n                    <jats:sub>cat<\/jats:sub>\n                    <jats:sup>\u22121<\/jats:sup>\n                    , much higher than Fe\n                    <jats:sub>1<\/jats:sub>\n                    \/C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    and Fe\n                    <jats:sub>1<\/jats:sub>\n                    \/C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4\u2010x<\/jats:sub>\n                    (308.47 and 473.26\u00a0\u00b5mol\u00a0g\n                    <jats:sub>cat<\/jats:sub>\n                    <jats:sup>\u22121<\/jats:sup>\n                    , respectively). Based on a collection of in situ characterizations and time\u2010dependent density functional theory calculations, it is determined that Fe\n                    <jats:sub>1<\/jats:sub>\n                    \/C\n                    <jats:sub>3\u2010x<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    with an optimal coordination number possesses the optimized electronic configuration that enables three\u2010electron oxygen reduction to generate hydroxyl radicals for photocatalytic conversion of CH\n                    <jats:sub>4<\/jats:sub>\n                    to CH\n                    <jats:sub>3<\/jats:sub>\n                    OH.\n                  <\/jats:p>","DOI":"10.1002\/smll.202500835","type":"journal-article","created":{"date-parts":[[2025,2,12]],"date-time":"2025-02-12T00:56:02Z","timestamp":1739321762000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Modulation of Single\u2010Iron\u2010Atom Coordination Environment Toward Three\u2010Electron Oxygen Reduction for Photocatalytic CH\n                    <sub>4<\/sub>\n                    Conversion to CH\n                    <sub>3<\/sub>\n                    OH"],"prefix":"10.1002","volume":"21","author":[{"given":"Laiquan","family":"Li","sequence":"first","affiliation":[{"name":"Institute of Energy Materials Science University of Shanghai for Science and Technology  Shanghai 200093 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiuwen","family":"Shi","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering Suzhou University of Science and Technology  Suzhou 215009 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lingyue","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of Applied Biology and Chemical Technology The Hong Kong Polytechnic University  Hung Hom Kowloon Hong Kong SAR 100872 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ying","family":"Tu","sequence":"additional","affiliation":[{"name":"International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education Institute of Microscale Optoelectronics Shenzhen University  Shenzhen 518060 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuhang","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering Suzhou University of Science and Technology  Suzhou 215009 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuhang","family":"Zhang","sequence":"additional","affiliation":[{"name":"Institute of Energy Materials Science University of Shanghai for Science and Technology  Shanghai 200093 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hong Bin","family":"Yang","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering Suzhou University of Science and Technology  Suzhou 215009 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shixue","family":"Dou","sequence":"additional","affiliation":[{"name":"Institute of Energy Materials Science University of Shanghai for Science and Technology  Shanghai 200093 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4685-2052","authenticated-orcid":false,"given":"Bin","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering Department of Chemistry Hong Kong Institute of Clean Energy (HKICE) &amp; Center of Super\u2010Diamond and Advanced Films (COSDAF) City University of Hong Kong  Hong Kong SAR 999077 China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,2,11]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00236"},{"key":"e_1_2_7_1_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.1249357"},{"key":"e_1_2_7_1_3","doi-asserted-by":"publisher","DOI":"10.1016\/j.chempr.2018.05.006"},{"key":"e_1_2_7_1_4","doi-asserted-by":"publisher","DOI":"10.1126\/science.1086466"},{"key":"e_1_2_7_1_5","doi-asserted-by":"publisher","DOI":"10.1039\/D0CS01016B"},{"key":"e_1_2_7_1_6","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.2c02464"},{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201702550"},{"key":"e_1_2_7_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00715"},{"key":"e_1_2_7_2_3","doi-asserted-by":"publisher","DOI":"10.1039\/c3cs60120j"},{"key":"e_1_2_7_2_4","doi-asserted-by":"publisher","DOI":"10.1038\/s41560-023-01389-3"},{"key":"e_1_2_7_2_5","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-42307-1"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c10369"},{"key":"e_1_2_7_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c03426"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aan6515"},{"key":"e_1_2_7_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja047158u"},{"key":"e_1_2_7_4_3","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-21482-z"},{"key":"e_1_2_7_4_4","doi-asserted-by":"publisher","DOI":"10.1039\/D0EE01790F"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aam9035"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c04329"},{"key":"e_1_2_7_6_2","doi-asserted-by":"publisher","DOI":"10.1038\/s41578-022-00422-3"},{"key":"e_1_2_7_6_3","doi-asserted-by":"publisher","DOI":"10.1038\/s41560-017-0078-8"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chempr.2023.02.011"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-024-01553-6"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.202002473"},{"key":"e_1_2_7_9_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.chempr.2019.12.008"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2314396121"},{"key":"e_1_2_7_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0043-1354(01)00506-1"},{"key":"e_1_2_7_10_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202305639"},{"key":"e_1_2_7_10_4","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202208688"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202407628"},{"key":"e_1_2_7_11_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2307989120"},{"key":"e_1_2_7_11_3","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.4c02674"},{"key":"e_1_2_7_11_4","author":"Zhou Z.","year":"2024","journal-title":"Angew. 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