Tuning CO2 hydrogenation selectivity via support interface types on Cu-based catalysts.

Herein, we described a finding in the CO 2 hydrogenation reaction: by just altering the support interface types in Cu-based catalysts, selectivity could be totally reversed. CH 3 OH selectivity on Cu/ZnO-MgO catalyst was about 80%, whereas CH 4 selectivity on Cu/ZnO-CoO catalyst was around 98%. [Display omitted] • A new method for constructing multiple interface types was proposed. • CZM showed CH 3 OH selectivity, while CZC exhibited CH 4 selectivity. • Strength of basicity site at support interface can affect product selectivity. • The adsorption position of H 2 COO* on catalysts is key for CO 2 hydrogenation products. Growing interest has been shown in controlling the selectivity of CO 2 hydrogenation to produce specific compounds and fuels with additional value. However, it is challenging to selectively generate target products due to the complexity and diversity of the products in CO 2 hydrogenation reaction. Herein, we reported a finding in the CO 2 hydrogenation reaction: selectivity could be totally reversed by just altering support interface types on Cu-based catalysts. Cu/ZnO-MgO catalysts showed high CH 3 OH selectivity, while Cu/ZnO-CoO catalysts exhibited good selectivity of CH 4. According to in-depth characterization, varied basicity sites most likely as results of the different support interface types. Density functional theory (DFT) calculations pointed that support interface types altered the adsorption position of H 2 COO* on catalysts and affect the adsorption and activation of intermediates, and thus resulted in noticeably varied product selectivity. This study demonstrated the value of regulating CO 2 hydrogenation selectivity via support interface types on Cu-based catalysts, which can aid in the rational design of catalysts for not only CO 2 hydrogenation but also other significant reactions. [ABSTRACT FROM AUTHOR]