articleJournal of the American Chemical SocietyJun 1, 2023GREEN OA

Asymmetric Sites on the ZnZrO x Catalyst for Promoting Formate Formation and Transformation in CO 2 Hydrogenation

Dalian Institute of Chemical Physics · Chinese Academy of Sciences · +2 more institutions

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Abstract

The role of formate species for CO2 hydrogenation is still under debate. Although formate has been frequently observed and commonly proposed as the possible intermediate, there is no definite evidence for the reaction of formate species for methanol production. Here, formate formation and conversion over the ZnZrOx solid solution catalyst are investigated by in situ/operando diffuse reflectance infrared Fourier transform spectroscopy-mass spectroscopy (DRIFTS-MS) coupled with density functional theory (DFT) calculations. Spectroscopic results show that bidentate carbonate formed from CO2 adsorption is hydrogenated to formate on Zn–O–Zr sites (asymmetric sites), where the Zn site is responsible for H2…

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