【摘 要】
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The 5-parameter Morse potential (5-MP) of interaction between an adatom and metal surface cluster is put forward and performed on O-Pt stepped surface systems.W
【机 构】
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Department of Chemistry,School of Chemical Engineering
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The 5-parameter Morse potential (5-MP) of interaction between an adatom and metal surface cluster is put forward and performed on O-Pt stepped surface systems.We have primarily studied O/Pt(331), O/Pt(221) and O/Pt(553) systems and drawn some conclusions from the calculated results in good agreement with experimental and theoretical information.The O atom adsorbs stably near the step, so the step is the active place in the reaction.There are two types of atomic states, β1 and β2, in the adsorbed systems, corresponding to the three-fold states and four-fold long-bridged state behind the step respectively.Moreover, the length of (111) terrace affects weakly the properties of all critical points in these systems.
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