{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Liu W"],"funding":["Chinese Academy of Sciences","Fundamental Research Funds for the Central Universities","Anhui Provincial Key Research and Development Plan","Natural Science Foundation of Anhui Province","National Natural Science Foundation of China","National Key Research and Development Program of China"],"pagination":["1397-1402"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9906647"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["14(6)"],"pubmed_abstract":["The cycloaddition of CO<sub>2</sub> with epoxides towards cyclic carbonates provides a promising pathway for CO<sub>2</sub> utilization. Given the crucial role of epoxide ring opening in determining the reaction rate, designing catalysts with rich active sites for boosting epoxide adsorption and C-O bond cleavage is necessary for gaining efficient cyclic carbonate generation. Herein, by taking two-dimensional FeOCl as a model, we propose the construction of electron-donor and -acceptor units within a confined region <i>via</i> vacancy-cluster engineering to boost epoxide ring opening. By combing theoretical simulations and <i>in situ</i> diffuse reflectance infrared Fourier-transform spectroscopy, we show that the introduction of Fe-Cl vacancy clusters can activate the inert halogen-termin"],"journal":["Chemical science"],"pubmed_title":["Vacancy-cluster-mediated surface activation for boosting CO<sub>2</sub> chemical fixation."],"pmcid":["PMC9906647"],"funding_grant_id":["21905262","2019YFA0210004","22275179","WK2060000039","92163105","2022YFA1502903","2008085QB88","U2032212","21922509","XDB36000000","T2122004","2022a05020054","U2032160","21890754","2108085J07","2021YFA1501502"],"pubmed_authors":["Liu J","Shao W","Dong Y","Xie Y","Zhang H","Ye B","Zhang X","Zuo M","Wang H","Li L","Liu W"],"additional_accession":[]},"is_claimable":false,"name":"Vacancy-cluster-mediated surface activation for boosting CO<sub>2</sub> chemical fixation.","description":"The cycloaddition of CO<sub>2</sub> with epoxides towards cyclic carbonates provides a promising pathway for CO<sub>2</sub> utilization. Given the crucial role of epoxide ring opening in determining the reaction rate, designing catalysts with rich active sites for boosting epoxide adsorption and C-O bond cleavage is necessary for gaining efficient cyclic carbonate generation. Herein, by taking two-dimensional FeOCl as a model, we propose the construction of electron-donor and -acceptor units within a confined region <i>via</i> vacancy-cluster engineering to boost epoxide ring opening. By combing theoretical simulations and <i>in situ</i> diffuse reflectance infrared Fourier-transform spectroscopy, we show that the introduction of Fe-Cl vacancy clusters can activate the inert halogen-termin","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Feb","modification":"2026-03-15T13:01:54.039Z","creation":"2025-04-04T11:17:23.278Z"},"accession":"S-EPMC9906647","cross_references":{"pubmed":["36794176"],"doi":["10.1039/d2sc05596a"]}}