Comparison of O–H and C–H activation of methanol on Ni-based cluster: a DFT investigation
2019
Using the density functional theory, the initial dehydrogenation of methanol on NixMy (M = Ni, Co, Fe, Mn, Cr, x + y = 4, y = 1, 2) clusters is investigated. Two adsorption and dehydrogenation mech...
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