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Adsorption and dehydrogenation of formic acid, hydrazine and isopropanol have been investigated using periodic density functional theory (DFT). All the intermediates and transition states have been optimized and the preferred reaction pathways have been found. The adsorption energies for the most stable mode of formic acid, hydrazine and isopropanol are 38.6 kJ/mol, 63.9 kJ/mol and 46.1 kJ/mol, respectively...
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