Vacancy-cluster-mediated surface activation for boosting CO₂ chemical fixation.

ABSTRACT: 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 via vacancy-cluster engineering to boost epoxide ring opening. By combing theoretical simulations and in situ diffuse reflectance infrared Fourier-transform spectroscopy, we show that the introduction of Fe-Cl vacancy clusters can activate the inert halogen-termin

SUBMITTER: Liu W 

PROVIDER: S-EPMC9906647 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature