Browsing by Subject "Hydrogenation"
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Ab Initio Modeling of the ZnO-Cu(111) Interface
(American Chemical Society, 2021-12-31)The morphology at the catalytically active interfacial site of ZnO/Cu in the commercial ZnO/Cu/Al2O3 catalyst for CO2 hydrogenation to methanol is still an open question. In the present study, we employ ab initio density ...