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Adsorption of sulfur on Ag(100)

机译:硫在Ag(100)上的吸附

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摘要

We have used scanning tunneling microscopy and density Functional theory to investigate the structures formed by sulfur on Ag(100). As indicated by previous low-energy electron diffraction studies, the main phases have unit cells of p(2×2) and (Vl7× Vl7)R14°. We show that the latter is a reconstruction. The favored structural model is one in which 5 Ag atoms are missing from the (100) surface plane per unit cell. The ejected Ag atoms combine with sulfur to form islands of the reconstructed phase on the terraces. The (Vl7× Vl7)R14° phase coexists with the p(2×2), at sulfur coverages slightly above 0.25 monolayers. In addition, chain-like structures are observed in STM, both at room temperature (where they are dynamic) and below (where they are not). These results are compared with relevant literature for copper surfaces.
机译:我们已经使用扫描隧道显微镜和密度泛函理论来研究硫在Ag(100)上形成的结构。如先前的低能电子衍射研究所示,主相的晶胞为p(2×2)和(V17×V17)R14°。我们证明后者是重建的。偏爱的结构模型是这样一种模型,其中每单位晶胞(100)表面缺少5个Ag原子。喷出的银原子与硫结合,在梯田上形成重建相的岛。 (V17×V17)R14°相与p(2×2)共存,硫覆盖率略高于0.25单层。另外,在室温下(动态的)和低于室温下(没有动态的)在STM中观察到链状结构。将这些结果与有关铜表面的相关文献进行了比较。

著录项

  • 来源
    《Surface Science》 |2011年第6期|p.520-527|共8页
  • 作者单位

    Department of Chemistry, Iowa State University, Ames, IA 50011, USA;

    Department of Chemistry, Iowa State University, Ames, IA 50011, USA, Materials and Chemical Sciences Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA 99352, USA;

    Ames Laboratory, USDOE, Iowa State University, Ames, IA 50011, USA;

    Department of Chemistry, Iowa State University, Ames, IA 50011, USA,Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011, USA,Ames Laboratory, USDOE, Iowa State University, Ames, IA 50011, USA;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    sulphides; surface relaxation and reconstruction; density functional calculations;

    机译:硫化物表面松弛和重建;密度泛函计算;

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