Dissociative Adsorption Dynamics of H_2(D_2) on Metal Alloy Surfaces : A First Step Towards Surface Reaction Design/Control : Condensed Matter: Structure, etc.

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概要

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• We report on how we can influence the dynamics of H_2 dissociation by changing the orientation dependence of the reaction. To demonstrate, we examined H_2 dissociation across the Cu-Pt bridge site of an ordered Cu_3Pt(111). Our density-functional-theory-based potential energy surface calculation results reveal a considerable activation barrier, with an orientation dependence that exhibits preference for H_2 orientations parallel to the surface over all other orientations, and preference for H_2 orientations perpendicular to the surface over orientations intermediate between perpendicular and parallel. Our calculated dissociation probability results reveal non-monotonic dependence on the initial rotational state of the impinging H_2, and we suggest how further information regarding the orientation dependence of the reaction could be determined experimentally.

• 社団法人日本物理学会の論文
• 2000-04-15

著者

• Dino Wilson

  Department Of Physics Osaka University

• KASAI Hideaki

  Department of Precision Science and Technology and Applied Physics, Osaka University

• Okiji A

  Wakayama National Coll. Of Technol. Wakayama Jpn

• Okiji Ayao

  Wakayama National College Of Technology

• Dino Wilson

  Department Of Applied Physics Osaka University

• Kasai Hideaki

  Department Of Applied Physics Faculty Of Engineering Osaka University

• Okiji Ayao

  Department of Applied Physics, Osaka University

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