Modelling of Complex Surfaces

Using a wide arsenal of analytical and simulation techniques, ranging from hydrodynamic simulations over Green’s-functional approach to quantum-chemistry ab-initio calculations, we aim at understanding complex surfaces from a theoretical point of view.

Typical research topics are:

  1. What is the microscopic water structure at solid surfaces? This question is particularly relevant since it has been shown recently that ions (which are always present in aqueous solution) do interact strongly and very specifically with the interfacial water layer.
  2. How does the adsorption of peptides and other bio-polymers depend on the surface type? Here we are interested in understanding the relation between the hydrophobicity of a surface and the adhesive strength.
  3. What are the dynamic properties of structured surfaces under the influence of external driving fields, which could be for example lateral applied electric fields (giving rise to phenomena as electroosmosis or electrophoresis) or shear flows. For example, it is known for a long time that lateral electric fields drag the diffusely bound counterions along and give rise to a characteristic solvent flow profile. The strength of this electroosmotic solvent flow does not come out correctly from simple continuum theory, which means that the detailed surface structure is important.

Relevant Publications:

  1. D. Horinek, A. Serr, M. Geisler, T. Pirzer, U. Slotta, S. Q. Lud, J. A. Garrido, T. Scheibel, T. Hugel, R. R. Netz (2008). Peptide adsorption on a hydrophobic surface results from an interplay of solvation, surface and intrapeptide forces. PNAS, 105, 2842.
  2. D. Horinek and R.R. Netz (2007). Specific Ion Adsorption at Hydrophobic Solid Surfaces. Physical Review Letters 99, 226104.
  3. C. Sendner and R. Netz (2008). Shear-induced repulsion of a semiflexible polymer from a wall. Europhysics Letters 81, 54006.