Adsorption of phthalocyanine-complexes on hexagonal boron nitride templates

This thesis presents the study of phythalocyanine-complexes on one atom thick hexagonal boron nitride (hBN) templates on metal surfaces with respect to their electronic and structural properties. These properties are key to get an understanding of the charge state or the catalytic nature of the molecules. The experiments were performed by scanning probe microscopy and X-ray photoelectron spectroscopy and are supported by calculations and simulations using density functional theory. These experiments reveal, that the charge state control of F${}_{16}$CoPc on hBN/Cu(111) is mainly determined by three parameters. The adsorption of the molecule on hBN/Cu(111) will be compared with the adsorption on hBN/Ir(111). In another project the array formation of CePc${}_2$ doubledecker molecules along the moiré structure of hBN/Ir(111) was investigated and the appearance of the molecules was compared with theoretical simulations. As a byproduct of the CePc${}_2$ doubledeckers, smaller molecules - identified as diiminoisoindolines - adsorb on the hBN/Ir(111) surface and can functionalize the hBN layer. The appearance and dimerization of these molecules will be described and compared with theoretical calculations. By simulating the appearance of different dimers, molecular models will be assigned to the observed molecules. As the last project of this thesis, different multidecker systems were theoretically calculated by density functional theory and will be compared with the experimentally available data.