Regensburg 2010 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 26: Poster Session

MM 26.17: Poster

Tuesday, March 23, 2010, 14:45–16:30, Poster C

Theoretical investigation of the adsorption of SPS and MPS at the Cl-covered Cu(100) surface — •W. Reckien¹, N.T.M. Hai², A. Fluegel³, W. M. Hahn³, A. Wagner³, D. Mayer³, P. Broekmann^2,3, and T. Bredow¹ — ¹Institute of Physical and Theoretical Chemistry, University of Bonn, Germany — ²Department of Chemistry and Biochemistry, University of Bern, Switzerland — ³BASF-SE, Electronic Materials, Ludwigshafen, Germany

Copper electrodeposition has attracted considerable attention over the last two decades due to its application in the state-of-the-art fabrication of integrated logic and memory devices. A detailed understanding of the synergistic and antagonistic interaction between so-called accelerator, suppressor and leveller molecules among themselfes and with the chlorine covered copper surface is still lacking.

We present the results of a first principles study of the interaction of the accelerator molecule SPS (bis-sodiumsulfopropyl-disulfide) and the corresponding MPS (mercaptopropylsulfonic acid) monomer with the Cu(100)/Cl system. We discuss different adsorption situations on the pure Cu(100) surface, on a compact c(2 x 2)-Cl adlayer and the influence of chlorine defects in the adlayer. Since the consideration of the electrolyte is crucial for an accurate description of the process, we present new models for the adsorption of SPS and MPS in the presence of a water electrolyte.