Berlin 2008 – scientific programme

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O: Fachverband Oberflächenphysik

O 34: Metal Substrates: Adsorption of Organic/Bio Molecules II

O 34.1: Talk

Tuesday, February 26, 2008, 13:45–14:00, MA 043

Conformations vs. Interaction energy: adsorption of flexible (bio)molecules on inorganic substrates — •Luca M. Ghiringhelli and Luigi Delle Site — Max-Planck-Institute for Polymer Research, Ackermannweg 10, D 55021 Mainz, Germany

We present a first principle density functional study of phenylalanine interacting with three different classes of surfaces, namely a purely repulsive hard-wall, mildly interacting close packed surfaces of group 11 metals (Cu(111), Ag(111), and Au(111)), and strongly interacting close packed surfaces of group 10 metals (Ni(111), Pd(111), and Pt(111)). In particular, we characterize, by changing the substrate, the passage from the statistical behavior of a flexible molecule in the presence of the topological confinement of a hard-wall to a purely chemical behavior where the molecule, highly deformed compared to the free state, strongly binds to the surface and statistical conformations play no more a role. Such a comparative study allows to characterize some of the key aspects of the adsorption process for a prototype of flexible amino acids on experimentally and technologically relevant metal surfaces.