title: Electronic origin of disorder and diffusion at a molecule-metal interface: self-assembled monolayers of CH3S on Cu111.
abstract: The relationship between structure, interfacial electrostatics, bonding, and dynamics of organic molecules on metals is studied using a self-assembled monolayer of methylthiolate, CH3S, on Cu(111). The flat adsorption energy landscape of CH(3)S/Cu(111) results from metal-to-molecule charge redistribution which allows for a high mobility of CH3S. This contributes a nonuniform diffuse background to Bragg scattering, which needs to be considered in diffraction analyses. Ramifications on the interpretation of experimental data and the potential impact on the design of metal-organic interfaces are discussed.
authors.affiliation: Center for Computational Materials Science, Department of Physics, Slovak University of Technology, Ilkovicova 3, 81219 Bratislava, Slovakia.
authors.forename: Martin
authors.initials: M
authors.lastname: Konôpka
authors.forename: Roger
authors.initials: R
authors.lastname: Rousseau
authors.forename: Ivan
authors.initials: I
authors.lastname: Stich
authors.forename: Dominik
authors.initials: D
authors.lastname: Marx