The isothermal methane oxidation to methanol over Cu oxide clusters in-situ formation in the UiO-bpy channels was investigated by experiment and density functional theory (DFT). At 200 °C, methanol yield and selectivity are 24.33 μmol/g_cat and 88.1%, and the side-product is ethanol. In addition, no activity drop was observed for the Cu_xO_y@UiO-bpy catalyst over three consecutive cycle experiments. DFT shows that two-dimensional Cu₄O₄ is the major Cu_xO_y species (80.85%), and the synthesis is direct reaction mechanism for methane oxidation to methanol.

中文翻译：

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在Cu _x O _y @ UiO-bpy上甲烷等温转化为甲醇

通过实验和密度泛函理论（DFT）研究了UiO-bpy通道中Cu氧化物团簇上原位形成甲烷的等温甲烷氧化为甲醇的过程。在200°C下，甲醇的产率和选择性为24.33μmol/ g _cat和88.1％，副产物为乙醇。另外，在三个连续的循环实验中，没有观察到Cu _x O _y @ UiO-bpy催化剂的活性下降。DFT表明，二维Cu ₄ O ₄是主要的Cu _x O _y种类（80.85％），其合成是甲烷氧化为甲醇的直接反应机理。