DFT studies on the key competing reaction steps towards complete ethanol oxidation on transition metal catalysts
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DOI: 10.1016/j.commatsci.2018.09.029
Abstract: Abstract Five transition metals (Ni, Ru, Rh, Ag, and Au) were investigated here using DFT calculations for their catalytic activities in the CsbndO bond coupling to form CH3COOH (CH3CO∗ + OH∗ → CH3COOH∗ + ∗)… read more here.
Keywords: ethanol oxidation; towards complete; reaction; key competing ... See more keywords