Tunneling Effect of O<sub>2</sub> in Dissociative Adsorption on Pt(111) Surface

DOI Web Site 被引用文献3件 参考文献13件 オープンアクセス
  • Shimizu Koji
    Department of Applied Physics, Osaka University, Japan
  • Diño Wilson Agerico
    Department of Applied Physics, Osaka University, Japan Center for Atomic and Molecular Technologies, Osaka University, Japan
  • Kasai Hideaki
    Department of Applied Physics, Osaka University, Japan Center for Atomic and Molecular Technologies, Osaka University, Japan

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Dissociative adsorption processes of O2 molecule on Pt(111) surface are explored using quantum dynamical calculations based on coupled-channel method. The explored adsorption sites are the direct dissociative adsorption channels, where the precursor state for O2 sticking are absent, with certain amount of activation barrier. We find that the dissociative sticking probability of O2 depicts the sigmoidal (S-shaped) curve in all cases which is a manifestation of the tunneling effect. Moreover, the sticking curve is sensitively dependent on the shape of the activation barrier which affects the width of the transition region. Molecular vibration facilitates sticking and affects the width of the barrier. [DOI: 10.1380/ejssnt.2013.72]

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