Mechanistic study of methanol synthesis from CO2 hydrogenation on Rh-doped Cu(111) surfaces
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DOI: 10.1016/j.mcat.2019.01.009
Abstract: Abstract Self-consistent periodic density functional theory (DFT) calculations were employed to explore the adsorption and reaction mechanisms of CO2 hydrogenation to methanol via the reverse water-gas-shift pathway on Cu(111) and three RhCu(111) surfaces with different… read more here.
Keywords: synthesis; adsorption; 111 surfaces; rh3cu6 111 ... See more keywords