biostudies-literatureLiu WChinese Academy of SciencesFundamental Research Funds for the Central UniversitiesAnhui Provincial Key Research and Development PlanNatural Science Foundation of Anhui ProvinceNational Natural Science Foundation of ChinaNational Key Research and Development Program of China1397-1402https://www.ebi.ac.uk/biostudies/studies/S-EPMC9906647biostudies-literatureUnknown14(6)The cycloaddition of CO₂ with epoxides towards cyclic carbonates provides a promising pathway for CO₂ 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-terminChemical scienceVacancy-cluster-mediated surface activation for boosting CO₂ chemical fixation.PMC9906647219052622019YFA021000422275179WK2060000039921631052022YFA15029032008085QB88U203221221922509XDB36000000T21220042022a05020054U2032160218907542108085J072021YFA1501502Liu JShao WDong YXie YZhang HYe BZhang XZuo MWang HLi LLiu WfalseVacancy-cluster-mediated surface activation for boosting CO₂ chemical fixation.The cycloaddition of CO₂ with epoxides towards cyclic carbonates provides a promising pathway for CO₂ 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-termin2023-01-01T00:00:00Z2023 Feb2026-03-15T13:01:54.039Z2025-04-04T11:17:23.278ZS-EPMC99066473679417610.1039/d2sc05596a