Auflistung nach Autor/in "2678b1a3-e682-41af-a8aa-12116399952c"

Auflistung nach Autor/in "2678b1a3-e682-41af-a8aa-12116399952c"

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  • Anomalous molecular orbital variation upon adsorption on a wide band gap insulator 
    Chen, W.; Tegenkamp, Christoph; Pfnür, Herbert; Bredow, T. (College Park, MD : American Institute of Physics, 2010)
    It is commonly believed that organic molecules are physisorbed on the ideal nonpolar surfaces of wide band gap insulators with limited variation in the electronic properties of the adsorbate molecule. On the basis of first ...
  • Ferrocene-1,1' -dithiol as molecular wire between Ag electrodes: The role of surface defects 
    Bredow, T.; Tegenkamp, Christoph; Pfnür, Herbert; Meyer, J.; Maslyuk, V.V.; Mertig, I. (College Park, MD : American Institute of Physics, 2008)
    The interaction of ferrocene- 1, 1' -dithiol (FDT) with two parallel Ag(111) surfaces has been theoretically studied at density-functional level. The effect of surface defects on the energetic and electronic structure was ...
  • Thiol and thiolate bond formation of ferrocene-1,1-dithiol to a Ag(111) surface 
    Meyer, J.; Bredow, T.; Tegenkamp, Christoph; Pfnür, Herbert (College Park, MD : American Institute of Physics, 2006)
    Using density functional calculations, we show that the adsorption of ferrocene dithiol on the Ag(111) surface is remarkably flexible, i.e., a large number of different configurations have binding energies that differ by ...