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Partial Substitution of Copper by Cobalt, Iron, and Nickel in the [Cu3O3]2+ Active Site Motif for Improved Methane to Methanol Conversion in the Zeolite Mordenite
We have performed Density Functional Theory (DFT) calculations to examine the effects of partial substitution of copper atoms within the active site motifs involved in methane-to-methanol conversion (MMC) in copper-exchanged ...