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The dehydrogenation of formaldehyde (CH2O) on the clean CuO(111) surface and O/OH preadsorbed CuO(111) surface is investigated using density functional theory (DFT) method. The adsorption structures and energies of stationary points in this reaction are explored to map the whole reaction network. The calculated results indicate that the primary intermediates CH2O, CH2O2, and CHO2 prefer to adsorb...
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