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For the sake of improving the performance of Ru-based catalyst used in partial hydrogenation of benzene to cyclohexene, the effect of Zn 2+ /Zn layer on the adsorption and dissociation of H 2 on Ru (0001) surface was investigated by applying density function theory (DFT) calculations. Calculation results show that the dissociation of H 2 occurs only after its being chemisorbed...
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