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
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DOI: 10.1016/j.jcat.2021.06.020
Abstract: Abstract By coupling density functional theory calculations (DFT) with microkinetic modeling, we address two controversial problems pertaining to methanol synthesis: i) Which of the CO or CO2 hydrogenation routes dominates the synthesis rate, and ii)… read more here.
Keywords: mgo interface; adsorbate adsorbate; hydrogenation; methanol synthesis ... See more keywords