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The chemisorption of C_2H_x(x=2-5) species over Pd-Ni surface alloys

【摘要】:正Pd-based catalysts have played an important role in the selective hydrogenation of acetylene in the presence of ethylene.Nickel catalysts have also been used in this reaction.To understand the role of Ni atom on the activity of Pd(111),a systematic study of acetylene hydrogenation was carried out over Pd and Pd-Ni surface alloys.The calculations in this work were performed with the program package DMol~3 in

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