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- W4200207405 abstract "Abstract In catalysis science, the electronic structure of the active site determines the structure–activity relationship of the catalyst to a large extent. Therefore, modulating the electronic structure has become a main route for the rational design of metal‐based catalyst materials. In this work, we prepared a LaCoSiH x material that has more electronegativity and a lower workfunction than traditional supported Co‐based catalysts. Using CO 2 methanation as a model catalytic reaction, the facile dissociation of CO 2 and CO (a key reaction intermediate) on the surface of the LaCoSiH x catalyst is observed by various experimental methods (e.g., in situ Raman and FTIR) at room temperature. Moreover, theoretical calculation results further show that LaCoSiH x has a much stronger capacity for carbon–oxygen bond activation than the Co surface. The intrinsic mechanism is attributed to the marked electron transfer from catalysts into the antibonding orbital of CO 2 and CO." @default.
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- W4200207405 date "2021-10-25" @default.
- W4200207405 modified "2023-10-17" @default.
- W4200207405 title "The Facile Dissociation of Carbon–Oxygen Bonds in CO 2 and CO on the Surface of LaCoSiH x Intermetallic Compound" @default.
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- W4200207405 doi "https://doi.org/10.1002/ange.202111747" @default.
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