Adsorption of PTCDA on NaCl(100) and KCl(100)

The adsorption of PTCDA on KCl and NaCl(100) surfaces has been investigated by means of first principles calculations. Besides a variety of adsorbate structures for single molecules and a monolayer of flat lying molecules on plain terraces, the influence of monoatomic steps and the different defect site at step edges has been studied in detail.