https://www.selleckchem.com/pr....oducts/cucurbitacin-
Copper-exchanged zeolites are useful for stepwise conversion of methane to methanol at moderate temperatures. This process also generates some over-oxidation products like CO and CO2 . However, mechanistic pathways for methane over-oxidation by copper-oxo active sites in these zeolites have not been previously described. Adequate understanding of methane over-oxidation is useful for developing systems with higher methanol yields and selectivities. Here, we use density functional theory (DFT) to examine methane over-oxidation by [
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