New insights on CO and CO2 hydrogenation for methanol synthesis: The key role of adsorbate-adsorbate interactions on Cu and the highly active MgO-Cu interface

Journal of Catalysis(2021)

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摘要
The MgO/Cu interface is a highly active site for CO hydrogenation, where a a novel lattice-oxygen involved reaction mechanism is proposed; Methanol synthesis from CO2 hydrogenation is very sensitive to HCOO* coverage, and proceeds via a hydrogen bind assisted reaction paths on pure Cu.
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关键词
Methanol synthesis,Density functional theory,Adsorbate-adsorbate interactions,Hydrogen bond,MgO/Cu interface
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