{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T00:44:52Z","timestamp":1788309892368,"version":"build-2803163510"},"reference-count":36,"publisher":"Wiley","issue":"17","license":[{"start":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T00:00:00Z","timestamp":1740096000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T00:00:00Z","timestamp":1740096000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"published-print":{"date-parts":[[2025,4,17]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Designing effective photocatalysts for carbon dioxide reduction reaction (CO\n                    <jats:sub>2<\/jats:sub>\n                    RR) requires a precise understanding of the dynamically photocatalytic mechanism under real conditions (e.g. solvent, light field). Herein, we coupled ab\u2010initio non\u2010adiabatic molecular dynamics (NAMD) simulation and density functional theory (DFT) calculation to theoretically reveal the detailed dynamic process for C\u2212C Coupling under light field on Co\u2010supported monolayer black phosphorus (BP) catalyst Co@BP. Specially, Co@BP features excellent property for photocatalyst: high stability, long\u2010lived photogenerated carriers and stronger reducing ability. Thermodynamically, it shown that a dramatic difference in catalytic properties with 99.99\u2009% selectivity for HCOOH in solvent\u2010free condition (\n                    <jats:italic>E<\/jats:italic>\n                    <jats:sub>a<\/jats:sub>\n                    =0.29\u2005eV) and 99.34\u2009% selectivity for CH\n                    <jats:sub>2<\/jats:sub>\n                    CH\n                    <jats:sub>2<\/jats:sub>\n                    in solution (\n                    <jats:italic>E<\/jats:italic>\n                    <jats:sub>a<\/jats:sub>\n                    =0.33\u2005eV). Slow\u2010growth based MD simulation results uncover that mixed solvent of water\/acetonitrile (H\n                    <jats:sub>2<\/jats:sub>\n                    O\/ACN) is beneficial for the formation of C\n                    <jats:sub>2+<\/jats:sub>\n                    product and the optimal ratio H\n                    <jats:sub>2<\/jats:sub>\n                    O\/ACN (1\u2009:\u20099) mixture solvent for the conversion of CO\n                    <jats:sub>2<\/jats:sub>\n                    to CH\n                    <jats:sub>2<\/jats:sub>\n                    CH\n                    <jats:sub>2<\/jats:sub>\n                    . Under light irradiation, we found that multichannel photons enable adsorbed CHO* to couple with CHO species diffusing from nearby active sites, further forming C\n                    <jats:sub>2<\/jats:sub>\n                    intermediates in solution. This work highlights the importance of the reaction medium on the photogenerative carrier dynamics and offers a strategy to regulate product selectivity in photocatalytic CO\n                    <jats:sub>2<\/jats:sub>\n                    conversion.\n                  <\/jats:p>","DOI":"10.1002\/anie.202500270","type":"journal-article","created":{"date-parts":[[2025,2,11]],"date-time":"2025-02-11T04:50:16Z","timestamp":1739249416000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Multichannel Photon Stimulated C\u2212C Coupling for CO\n                    <sub>2<\/sub>\n                    Reduction in a Mixed Water\/Acetonitrile Solvent"],"prefix":"10.1002","volume":"64","author":[{"given":"Fu\u2010Li","family":"Sun","sequence":"first","affiliation":[{"name":"H-PSI Computational Chemistry Lab Institute of Industrial Catalysis State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology College of Chemical Engineering Zhejiang University of Technology  Hangzhou 310032 P.\u2005R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cun\u2010biao","family":"Lin","sequence":"additional","affiliation":[{"name":"H-PSI Computational Chemistry Lab Institute of Industrial Catalysis State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology College of Chemical Engineering Zhejiang University of Technology  Hangzhou 310032 P.\u2005R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhi\u2010rui","family":"Luo","sequence":"additional","affiliation":[{"name":"H-PSI Computational Chemistry Lab Institute of Industrial Catalysis State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology College of Chemical Engineering Zhejiang University of Technology  Hangzhou 310032 P.\u2005R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qing","family":"Chen","sequence":"additional","affiliation":[{"name":"Surface Lab 10, Institute of Physics, Chinese Academy of Sciences  P.\u2005R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wen\u2010Xian","family":"Chen","sequence":"additional","affiliation":[{"name":"H-PSI Computational Chemistry Lab Institute of Industrial Catalysis State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology College of Chemical Engineering Zhejiang University of Technology  Hangzhou 310032 P.\u2005R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4763-7397","authenticated-orcid":false,"given":"Gui\u2010Lin","family":"Zhuang","sequence":"additional","affiliation":[{"name":"H-PSI Computational Chemistry Lab Institute of Industrial Catalysis State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology College of Chemical Engineering Zhejiang University of Technology  Hangzhou 310032 P.\u2005R. China"},{"name":"Key Laboratory of Functional Molecular Solids Ministry of Education College of Chemistry and Materials Science Anhui Normal University  Wuhu 241002, Anhui P.\u2005R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,2,21]]},"reference":[{"key":"e_1_2_7_1_1","unstructured":"\u00a0"},{"key":"e_1_2_7_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/accountsmr.2c00084"},{"key":"e_1_2_7_3_2","doi-asserted-by":"publisher","DOI":"10.1039\/D2EE04119G"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmat4834"},{"key":"e_1_2_7_5_1","unstructured":"\u00a0"},{"key":"e_1_2_7_6_2","doi-asserted-by":"publisher","DOI":"10.1039\/D1EE02714J"},{"key":"e_1_2_7_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c11446"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/smtd.202100736"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsenergylett.1c01522"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40820-022-00977-4"},{"key":"e_1_2_7_11_1","unstructured":"\u00a0"},{"key":"e_1_2_7_12_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.9b04637"},{"key":"e_1_2_7_13_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.surfrep.2021.100541"},{"key":"e_1_2_7_14_2","doi-asserted-by":"publisher","DOI":"10.1039\/D3NA00835E"},{"key":"e_1_2_7_15_1","unstructured":"\u00a0"},{"key":"e_1_2_7_16_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp047021q"},{"key":"e_1_2_7_17_2","doi-asserted-by":"publisher","DOI":"10.1515\/nanoph-2021-0278"},{"key":"e_1_2_7_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b00042"},{"key":"e_1_2_7_19_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2406071"},{"key":"e_1_2_7_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp9717296"},{"key":"e_1_2_7_21_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-42749-7"},{"key":"e_1_2_7_22_1","doi-asserted-by":"publisher","DOI":"10.1103\/RevModPhys.37.57"},{"key":"e_1_2_7_23_1","doi-asserted-by":"publisher","DOI":"10.1002\/smtd.201900083"},{"key":"e_1_2_7_24_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c01959"},{"key":"e_1_2_7_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.checat.2022.01.020"},{"key":"e_1_2_7_26_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1329672"},{"key":"e_1_2_7_27_1","unstructured":"\u00a0"},{"key":"e_1_2_7_28_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.2c10212"},{"key":"e_1_2_7_29_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja101578m"},{"key":"e_1_2_7_30_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c04714"},{"key":"e_1_2_7_31_1","unstructured":"\u00a0"},{"key":"e_1_2_7_32_2","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP02132A"},{"key":"e_1_2_7_33_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.cocis.2016.03.005"},{"key":"e_1_2_7_34_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.4c01582"},{"key":"e_1_2_7_35_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-29357-7"},{"key":"e_1_2_7_36_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.nanolett.1c01187"}],"container-title":["Angewandte Chemie International Edition"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/anie.202500270","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/anie.202500270","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/anie.202500270","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T14:17:55Z","timestamp":1775917075000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.202500270"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,2,21]]},"references-count":36,"journal-issue":{"issue":"17","published-print":{"date-parts":[[2025,4,17]]}},"alternative-id":["10.1002\/anie.202500270"],"URL":"https:\/\/doi.org\/10.1002\/anie.202500270","archive":["Portico"],"relation":{},"ISSN":["1433-7851","1521-3773"],"issn-type":[{"value":"1433-7851","type":"print"},{"value":"1521-3773","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,2,21]]},"assertion":[{"value":"2025-01-05","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-02-21","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e202500270"}}